2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine

C19H23N7 — CID 95222647

IUPAC2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2-n2cncn2)cc([C@H]2CCCNC2)n1
InChIInChI=1S/C19H23N7/c1-14-24-17(15-6-4-8-20-10-15)9-19(25-14)22-11-16-5-2-3-7-18(16)26-13-21-12-23-26/h2-3,5,7,9,12-13,15,20H,4,6,8,10-11H2,1H3,(H,22,24,25)/t15-/m0/s1
InChIKeyNQAFBCGKQSPGPP-HNNXBMFYSA-N
MW349.44 g/mol
LogP2.44
Rot. Bonds5

About 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine

2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine (PubChem CID 95222647) has the molecular formula C19H23N7 and a molecular weight of 349.44 g/mol. Its IUPAC name is 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine.

Molecular Properties

Compound Name2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
PubChem CID95222647
Molecular FormulaC19H23N7
Molecular Weight349.44 g/mol
Exact Mass349.20
IUPAC Name2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine
SMILESCc1nc(NCc2ccccc2-n2cncn2)cc([C@H]2CCCNC2)n1
InChIInChI=1S/C19H23N7/c1-14-24-17(15-6-4-8-20-10-15)9-19(25-14)22-11-16-5-2-3-7-18(16)26-13-21-12-23-26/h2-3,5,7,9,12-13,15,20H,4,6,8,10-11H2,1H3,(H,22,24,25)/t15-/m0/s1
InChIKeyNQAFBCGKQSPGPP-HNNXBMFYSA-N
XLogP2.44
TPSA80.55 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.44
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine with MolForge

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Related Compounds

3-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]piperidine
CID 117358223
N-(2-methoxyethyl)-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 175657002
7-fluoro-3-[[[2-methyl-6-[(3R)-piperidin-3-yl]pyrimidin-4-yl]amino]methyl]-1H-quinolin-2-one
CID 95207565
N-[2-(3,4-dihydro-1H-isoquinolin-2-yl)ethyl]-2-methyl-6-piperidin-3-ylpyrimidin-4-amine
CID 56719274
N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]ethanamine
CID 43282075
N-[(2-methylphenyl)methyl]-2-(1,2,4-triazol-1-yl)aniline
CID 43426538
2-methyl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]propan-1-amine
CID 63069997
2-methyl-4-[(2-methylphenyl)methyl]-6-piperidin-3-ylpyridine
CID 110252936
2-methyl-8-propan-2-yl-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrazolo[1,5-a][1,3,5]triazin-4-amine
CID 123541841
2-[1-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]imidazol-2-yl]-5,6,7,8-tetrahydro-4H-pyrazolo[1,5-a][1,4]diazepine;dihydrochloride
CID 154893169
N-[2-(1,2,4-triazol-1-yl)phenyl]pyrrolidin-3-amine
CID 79730381
N-(2-methyl-6-piperidin-3-ylpyrimidin-4-yl)-1,3-thiazol-2-amine
CID 66509318

Frequently Asked Questions

What is the IUPAC name of 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
The IUPAC name of 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine (CID 95222647) is 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine.
What is the SMILES notation for 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
The canonical SMILES for 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine is Cc1nc(NCc2ccccc2-n2cncn2)cc([C@H]2CCCNC2)n1.
What is the InChIKey of 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
The InChIKey is NQAFBCGKQSPGPP-HNNXBMFYSA-N. The full InChI is InChI=1S/C19H23N7/c1-14-24-17(15-6-4-8-20-10-15)9-19(25-14)22-11-16-5-2-3-7-18(16)26-13-21-12-23-26/h2-3,5,7,9,12-13,15,20H,4,6,8,10-11H2,1H3,(H,22,24,25)/t15-/m0/s1.
What are the key properties of 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine?
2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine has a molecular weight of 349.44 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-6-[(3S)-piperidin-3-yl]-N-[[2-(1,2,4-triazol-1-yl)phenyl]methyl]pyrimidin-4-amine is sourced from PubChem (CID 95222647), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).