5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)

C94H118BrClN24 — CID 165055864

IUPAC5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)
SMILESC=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1
InChIInChI=1S/2C17H22N4.2C16H20N4.C14H17BrN4.C14H17ClN4/c2*1-10(2)15-9-20-16(11(3)4)7-13(15)6-14-8-19-12(5)21-17(14)18;2*1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;2*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16/h2*7-10H,3,6H2,1-2,4-5H3,(H2,18,19,21);2*5,7-10H,1,6H2,2-4H3,(H2,17,18,20);2*5-8H,4H2,1-3H3,(H2,16,17,19)
InChIKeyQKDYAIWUJWFCKH-UHFFFAOYSA-N
MW1699.50 g/mol
LogP19.63
Rot. Bonds22

About 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)

5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine) (PubChem CID 165055864) has the molecular formula C94H118BrClN24 and a molecular weight of 1699.50 g/mol. Its IUPAC name is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine).

Molecular Properties

Compound Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)
PubChem CID165055864
Molecular FormulaC94H118BrClN24
Molecular Weight1699.50 g/mol
Exact Mass1696.88
IUPAC Name5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)
SMILESC=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1
InChIInChI=1S/2C17H22N4.2C16H20N4.C14H17BrN4.C14H17ClN4/c2*1-10(2)15-9-20-16(11(3)4)7-13(15)6-14-8-19-12(5)21-17(14)18;2*1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;2*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16/h2*7-10H,3,6H2,1-2,4-5H3,(H2,18,19,21);2*5,7-10H,1,6H2,2-4H3,(H2,17,18,20);2*5-8H,4H2,1-3H3,(H2,16,17,19)
InChIKeyQKDYAIWUJWFCKH-UHFFFAOYSA-N
XLogP19.63
TPSA388.14 Ų
H-Bond Donors6
H-Bond Acceptors24
Rotatable Bonds22
Heavy Atoms120
Complexity—

Lipinski Rule of Five

4 violations

RuleValue
MW ≤ 5001699.50
LogP ≤ 519.63
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 1024

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

Analyze 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine) with MolForge

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Launch Full Analysis

Related Compounds

5-(3-Bromo-phenyl)-6-cyclohexyl-7-(6-dimethylamino-pyridin-3-yl)-pyrido[2,3-d]pyrimidin-4-ylamine
CID 11752435
5-(3-Bromo-phenyl)-7-[6-(methyl-pyridin-3-ylmethyl-amino)-pyridin-3-yl]-pyrido[2,3-d]pyrimidin-4-ylamine
CID 44305631
5-(3-Chloro-phenyl)-7-(6-dimethylamino-pyridin-3-yl)-6-phenyl-pyrido[2,3-d]pyrimidin-4-ylamine
CID 10004031
N4-((2S,3S)-3-(3-bromophenyl)-4-(4-chlorophenyl)butan-2-yl)-N6-(pyridin-2-ylmethyl)pyrimidine-4,6-diamine
CID 45267719
5-Bromo-2-[4-[5-chloro-4-(3-methyl-2-pyridinyl)-2-pyridinyl]piperazin-1-yl]pyrimidine
CID 89736167
N-[[5-chloro-6-(2-methyl-4-pyridinyl)-3-pyridinyl]methyl]-6-(2-methyl-4-pyridinyl)-2,7-naphthyridin-1-amine
CID 72699719
5-Pyridin-3-yl-2,6-bis(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 73211790
4-[5-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-3-pyridinyl]pyrimidin-2-amine
CID 53346053
4-[2-(5-Chloro-2-fluorophenyl)-1,8-naphthyridin-4-yl]-2,7-naphthyridin-1-amine
CID 66632122
3-Bromo-5-[2-(5-chloro-2-fluoro-phenyl)-[1,8]naphthyridin-4-yl]-pyridin-2-ylamine
CID 67364390
3-Bromo-5-[2-(5-chloro-2-fluorophenyl)-1,8-naphthyridin-3-yl]pyridin-2-amine
CID 67379868
N-[2-[5-(2-aminopyrimidin-5-yl)-3-pyridinyl]ethyl]-6-(4-chloro-3-fluorophenyl)-2-methylpyrimidin-4-amine
CID 70976998

Frequently Asked Questions

What is the IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)?
The IUPAC name of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine) (CID 165055864) is 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine).
What is the SMILES notation for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)?
The canonical SMILES for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine) is C=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=C(C)c1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.C=Cc1cc(Cc2cnc(C)nc2N)c(C(C)C)cn1.Cc1ncc(Cc2cc(Br)ncc2C(C)C)c(N)n1.Cc1ncc(Cc2cc(Cl)ncc2C(C)C)c(N)n1.
What is the InChIKey of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)?
The InChIKey is QKDYAIWUJWFCKH-UHFFFAOYSA-N. The full InChI is InChI=1S/2C17H22N4.2C16H20N4.C14H17BrN4.C14H17ClN4/c2*1-10(2)15-9-20-16(11(3)4)7-13(15)6-14-8-19-12(5)21-17(14)18;2*1-5-14-7-12(15(9-19-14)10(2)3)6-13-8-18-11(4)20-16(13)17;2*1-8(2)12-7-18-13(15)5-10(12)4-11-6-17-9(3)19-14(11)16/h2*7-10H,3,6H2,1-2,4-5H3,(H2,18,19,21);2*5,7-10H,1,6H2,2-4H3,(H2,17,18,20);2*5-8H,4H2,1-3H3,(H2,16,17,19).
What are the key properties of 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine)?
5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine) has a molecular weight of 1699.50 g/mol, XLogP of 19.63, 22 rotatable bonds, 6 hydrogen bond donors, and 24 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[(2-bromo-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;5-[(2-chloro-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine;bis(5-[(2-ethenyl-5-propan-2-yl-4-pyridinyl)methyl]-2-methylpyrimidin-4-amine);bis(2-methyl-5-[(5-propan-2-yl-2-prop-1-en-2-yl-4-pyridinyl)methyl]pyrimidin-4-amine) is sourced from PubChem (CID 165055864), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).