6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

C17H23N5 — CID 112919450

IUPAC6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2cccnc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H23N5/c1-13-5-4-8-22(12-13)17-20-14(2)9-16(21-17)19-11-15-6-3-7-18-10-15/h3,6-7,9-10,13H,4-5,8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyIXVMKGLJQIRBOC-UHFFFAOYSA-N
MW297.41 g/mol
LogP3.03
Rot. Bonds4

About 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine

6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (PubChem CID 112919450) has the molecular formula C17H23N5 and a molecular weight of 297.41 g/mol. Its IUPAC name is 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
PubChem CID112919450
Molecular FormulaC17H23N5
Molecular Weight297.41 g/mol
Exact Mass297.20
IUPAC Name6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
SMILESCc1cc(NCc2cccnc2)nc(N2CCCC(C)C2)n1
InChIInChI=1S/C17H23N5/c1-13-5-4-8-22(12-13)17-20-14(2)9-16(21-17)19-11-15-6-3-7-18-10-15/h3,6-7,9-10,13H,4-5,8,11-12H2,1-2H3,(H,19,20,21)
InChIKeyIXVMKGLJQIRBOC-UHFFFAOYSA-N
XLogP3.03
TPSA53.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.41
LogP ≤ 53.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-methyl-2-morpholin-4-yl-N-(pyridin-3-ylmethyl)pyrimidin-4-amine
CID 112912257
N-[(2-methoxyphenyl)methyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112918204
4-[4-methyl-6-(pyridin-3-ylmethylamino)pyrimidin-2-yl]piperazine-1-carbaldehyde
CID 112914660
N',N'-dimethyl-N-[6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-yl]ethane-1,2-diamine
CID 112912830
(3-methylpiperidin-1-yl)-[6-methyl-2-(pyridin-3-ylmethylamino)pyrimidin-4-yl]methanone
CID 109329891
N-[2-(2-methoxyphenyl)ethyl]-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112920951
N-benzyl-2-methyl-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112871546
N-(2-ethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926176
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109330253
3-bromo-5-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrazolo[1,5-a]pyrimidin-7-amine
CID 143090567
N-[(4-methylphenyl)methyl]-3-(3-methylpiperidin-1-yl)-1,2,4-triazin-5-amine
CID 112948593
N-(2,3-dimethylphenyl)-6-methyl-2-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 112926175

Frequently Asked Questions

What is the IUPAC name of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine (CID 112919450) is 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is Cc1cc(NCc2cccnc2)nc(N2CCCC(C)C2)n1.
What is the InChIKey of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
The InChIKey is IXVMKGLJQIRBOC-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5/c1-13-5-4-8-22(12-13)17-20-14(2)9-16(21-17)19-11-15-6-3-7-18-10-15/h3,6-7,9-10,13H,4-5,8,11-12H2,1-2H3,(H,19,20,21).
What are the key properties of 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine?
6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine has a molecular weight of 297.41 g/mol, XLogP of 3.03, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(3-methylpiperidin-1-yl)-N-(pyridin-3-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 112919450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).