5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine

C97H127F3N28O6 — CID 167637294

IUPAC5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine
SMILESC#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCN(CC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N3CCCC3)ncc2C(C)C)c(N)n1
InChIInChI=1S/2C17H23N5O.2C17H25N5O.C15H16N4O.C14H15F3N4O/c1-10(2)13-8-20-16(22(4)12-5-6-12)7-14(13)23-15-9-19-11(3)21-17(15)18;1-11(2)13-9-20-16(22-6-4-5-7-22)8-14(13)23-15-10-19-12(3)21-17(15)18;1-10(2)13-8-20-16(22(6)11(3)4)7-14(13)23-15-9-19-12(5)21-17(15)18;1-6-22(7-2)16-8-14(13(9-20-16)11(3)4)23-15-10-19-12(5)21-17(15)18;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/h7-10,12H,5-6H2,1-4H3,(H2,18,19,21);8-11H,4-7H2,1-3H3,(H2,18,19,21);7-11H,1-6H3,(H2,18,19,21);8-11H,6-7H2,1-5H3,(H2,18,19,21);1,6-9H,2-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,18,19,21)
InChIKeyOQUJIOXVYQKSKP-UHFFFAOYSA-N
MW1838.27 g/mol
LogP19.96
Rot. Bonds26

About 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine

5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine (PubChem CID 167637294) has the molecular formula C97H127F3N28O6 and a molecular weight of 1838.27 g/mol. Its IUPAC name is 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine.

Molecular Properties

Compound Name5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine
PubChem CID167637294
Molecular FormulaC97H127F3N28O6
Molecular Weight1838.27 g/mol
Exact Mass1837.04
IUPAC Name5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine
SMILESC#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCN(CC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N3CCCC3)ncc2C(C)C)c(N)n1
InChIInChI=1S/2C17H23N5O.2C17H25N5O.C15H16N4O.C14H15F3N4O/c1-10(2)13-8-20-16(22(4)12-5-6-12)7-14(13)23-15-9-19-11(3)21-17(15)18;1-11(2)13-9-20-16(22-6-4-5-7-22)8-14(13)23-15-10-19-12(3)21-17(15)18;1-10(2)13-8-20-16(22(6)11(3)4)7-14(13)23-15-9-19-12(5)21-17(15)18;1-6-22(7-2)16-8-14(13(9-20-16)11(3)4)23-15-10-19-12(5)21-17(15)18;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/h7-10,12H,5-6H2,1-4H3,(H2,18,19,21);8-11H,4-7H2,1-3H3,(H2,18,19,21);7-11H,1-6H3,(H2,18,19,21);8-11H,6-7H2,1-5H3,(H2,18,19,21);1,6-9H,2-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,18,19,21)
InChIKeyOQUJIOXVYQKSKP-UHFFFAOYSA-N
XLogP19.96
TPSA456.48 Ų
H-Bond Donors6
H-Bond Acceptors34
Rotatable Bonds26
Heavy Atoms134
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001838.27
LogP ≤ 519.96
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1034

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'triple_bond', 'substructure': 'N/A'}

Analyze 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine with MolForge

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Frequently Asked Questions

What is the IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine?
The IUPAC name of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine (CID 167637294) is 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine.
What is the SMILES notation for 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine?
The canonical SMILES for 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine is C#Cc1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.CCN(CC)c1cc(Oc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Oc2cc(C(F)(F)F)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C(C)C)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N(C)C3CC3)ncc2C(C)C)c(N)n1.Cc1ncc(Oc2cc(N3CCCC3)ncc2C(C)C)c(N)n1.
What is the InChIKey of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine?
The InChIKey is OQUJIOXVYQKSKP-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H23N5O.2C17H25N5O.C15H16N4O.C14H15F3N4O/c1-10(2)13-8-20-16(22(4)12-5-6-12)7-14(13)23-15-9-19-11(3)21-17(15)18;1-11(2)13-9-20-16(22-6-4-5-7-22)8-14(13)23-15-10-19-12(3)21-17(15)18;1-10(2)13-8-20-16(22(6)11(3)4)7-14(13)23-15-9-19-12(5)21-17(15)18;1-6-22(7-2)16-8-14(13(9-20-16)11(3)4)23-15-10-19-12(5)21-17(15)18;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/h7-10,12H,5-6H2,1-4H3,(H2,18,19,21);8-11H,4-7H2,1-3H3,(H2,18,19,21);7-11H,1-6H3,(H2,18,19,21);8-11H,6-7H2,1-5H3,(H2,18,19,21);1,6-9H,2-4H3,(H2,16,17,19);4-7H,1-3H3,(H2,18,19,21).
What are the key properties of 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine?
5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine has a molecular weight of 1838.27 g/mol, XLogP of 19.96, 26 rotatable bonds, 6 hydrogen bond donors, and 34 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[2-[cyclopropyl(methyl)amino]-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[[2-(diethylamino)-5-propan-2-yl-4-pyridinyl]oxy]-2-methylpyrimidin-4-amine;5-[(2-ethynyl-5-propan-2-yl-4-pyridinyl)oxy]-2-methylpyrimidin-4-amine;2-methyl-5-[[2-[methyl(propan-2-yl)amino]-5-propan-2-yl-4-pyridinyl]oxy]pyrimidin-4-amine;2-methyl-5-[(5-propan-2-yl-2-pyrrolidin-1-yl-4-pyridinyl)oxy]pyrimidin-4-amine;2-methyl-5-[[5-propan-2-yl-2-(trifluoromethyl)-4-pyridinyl]oxy]pyrimidin-4-amine is sourced from PubChem (CID 167637294), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).