5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine

C106H129F3N32S5 — CID 167701299

IUPAC5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine
SMILESC=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=C(C)c1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C17H22N4.C16H20N4S.C16H20N4.C15H18N4S.C14H15F3N4S.C14H16N8S.C14H18N4S/c1-10(2)15-9-20-16(11(3)4)7-13(15)6-14-8-19-12(5)21-17(14)18;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-20-12(14(15,16)17)4-10(9)22-11-6-19-8(3)21-13(11)18;1-7(2)9-5-17-10(14-19-21-22-20-14)4-11(9)23-12-6-16-8(3)18-13(12)15;1-8(2)11-6-16-9(3)5-12(11)19-13-7-17-10(4)18-14(13)15/h7-10H,3,6H2,1-2,4-5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5,7-10H,1,6H2,2-4H3,(H2,17,18,20);5-9H,1H2,2-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,18,19,21);4-7,14H,1-3H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,17,18)
InChIKeyYKUBNWRASDCEBR-UHFFFAOYSA-N
MW2068.75 g/mol
LogP25.65
Rot. Bonds26

About 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine

5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine (PubChem CID 167701299) has the molecular formula C106H129F3N32S5 and a molecular weight of 2068.75 g/mol. Its IUPAC name is 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine
PubChem CID167701299
Molecular FormulaC106H129F3N32S5
Molecular Weight2068.75 g/mol
Exact Mass2066.96
IUPAC Name5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine
SMILESC=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=C(C)c1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1
InChIInChI=1S/C17H22N4.C16H20N4S.C16H20N4.C15H18N4S.C14H15F3N4S.C14H16N8S.C14H18N4S/c1-10(2)15-9-20-16(11(3)4)7-13(15)6-14-8-19-12(5)21-17(14)18;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-20-12(14(15,16)17)4-10(9)22-11-6-19-8(3)21-13(11)18;1-7(2)9-5-17-10(14-19-21-22-20-14)4-11(9)23-12-6-16-8(3)18-13(12)15;1-8(2)11-6-16-9(3)5-12(11)19-13-7-17-10(4)18-14(13)15/h7-10H,3,6H2,1-2,4-5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5,7-10H,1,6H2,2-4H3,(H2,17,18,20);5-9H,1H2,2-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,18,19,21);4-7,14H,1-3H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,17,18)
InChIKeyYKUBNWRASDCEBR-UHFFFAOYSA-N
XLogP25.65
TPSA502.27 Ų
H-Bond Donors7
H-Bond Acceptors37
Rotatable Bonds26
Heavy Atoms146
Complexity

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5002068.75
LogP ≤ 525.65
H-Bond Donors ≤ 57
H-Bond Acceptors ≤ 1037

Analyze 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine?
The IUPAC name of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine (CID 167701299) is 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine.
What is the SMILES notation for 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine?
The canonical SMILES for 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine is C=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=C(C)c1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1cc(Sc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Sc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Sc2cc(C3N=NN=N3)ncc2C(C)C)c(N)n1.
What is the InChIKey of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine?
The InChIKey is YKUBNWRASDCEBR-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4.C16H20N4S.C16H20N4.C15H18N4S.C14H15F3N4S.C14H16N8S.C14H18N4S/c1-10(2)15-9-20-16(11(3)4)7-13(15)6-14-8-19-12(5)21-17(14)18;1-9(2)12-7-19-13(10(3)4)6-14(12)21-15-8-18-11(5)20-16(15)17;1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;1-5-11-6-13(12(7-18-11)9(2)3)20-14-8-17-10(4)19-15(14)16;1-7(2)9-5-20-12(14(15,16)17)4-10(9)22-11-6-19-8(3)21-13(11)18;1-7(2)9-5-17-10(14-19-21-22-20-14)4-11(9)23-12-6-16-8(3)18-13(12)15;1-8(2)11-6-16-9(3)5-12(11)19-13-7-17-10(4)18-14(13)15/h7-10H,3,6H2,1-2,4-5H3,(H2,18,19,21);6-9H,3H2,1-2,4-5H3,(H2,17,18,20);5,7-10H,1,6H2,2-4H3,(H2,17,18,20);5-9H,1H2,2-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,18,19,21);4-7,14H,1-3H3,(H2,15,16,18);5-8H,1-4H3,(H2,15,17,18).
What are the key properties of 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine?
5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine has a molecular weight of 2068.75 g/mol, XLogP of 25.65, 26 rotatable bonds, 7 hydrogen bond donors, and 37 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)sulfanyl]-2-methylpyrimidin-4-amine;2-methyl-5-[(2-methyl-5-propan-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(5H-tetrazol-5-yl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]sulfanyl]pyrimidin-4-amine is sourced from PubChem (CID 167701299), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).