2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile

C19H23N5 — CID 172892296

IUPAC2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
SMILESCc1cc(N(C)C2CCCN(Cc3ccccc3C#N)C2)ncn1
InChIInChI=1S/C19H23N5/c1-15-10-19(22-14-21-15)23(2)18-8-5-9-24(13-18)12-17-7-4-3-6-16(17)11-20/h3-4,6-7,10,14,18H,5,8-9,12-13H2,1-2H3
InChIKeyYAHCNVZNPGDZRS-UHFFFAOYSA-N
MW321.43 g/mol
LogP2.76
Rot. Bonds4

About 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile

2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile (PubChem CID 172892296) has the molecular formula C19H23N5 and a molecular weight of 321.43 g/mol. Its IUPAC name is 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile.

Molecular Properties

Compound Name2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
PubChem CID172892296
Molecular FormulaC19H23N5
Molecular Weight321.43 g/mol
Exact Mass321.20
IUPAC Name2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile
SMILESCc1cc(N(C)C2CCCN(Cc3ccccc3C#N)C2)ncn1
InChIInChI=1S/C19H23N5/c1-15-10-19(22-14-21-15)23(2)18-8-5-9-24(13-18)12-17-7-4-3-6-16(17)11-20/h3-4,6-7,10,14,18H,5,8-9,12-13H2,1-2H3
InChIKeyYAHCNVZNPGDZRS-UHFFFAOYSA-N
XLogP2.76
TPSA56.05 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.43
LogP ≤ 52.76
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

N-[1-[(2,3-dimethoxyphenyl)methyl]piperidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 172891963
N,6-dimethyl-N-[1-[(2-methyl-3-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995113
2-[[3-[[6-(dimethylamino)pyrimidin-4-yl]amino]piperidin-1-yl]methyl]benzonitrile
CID 172901514
2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile
CID 171997362
N,6-dimethyl-N-[1-[(3-methyl-2-pyridinyl)methyl]pyrrolidin-3-yl]pyrimidin-4-amine
CID 171995115
N-[1-[(3-chlorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171995913
N-methyl-N-[1-(quinolin-4-ylmethyl)piperidin-3-yl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 172893299
N-[1-[(3,4-difluorophenyl)methyl]pyrrolidin-3-yl]-N,6-dimethylpyrimidin-4-amine
CID 171996805
2-[[(3R)-3-[methyl-[(5-methyl-1,3-oxazol-2-yl)methyl]amino]pyrrolidin-1-yl]methyl]benzonitrile
CID 97008212
4-N,6-N,6-N-trimethyl-4-N-[1-[(4-nitrophenyl)methyl]piperidin-3-yl]pyrimidine-4,6-diamine
CID 172893202
4-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]-2-(trifluoromethyl)benzonitrile
CID 171996899
2-[[(3R)-3-(hydroxymethyl)piperidin-1-yl]methyl]benzonitrile
CID 86311278

Frequently Asked Questions

What is the IUPAC name of 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile?
The IUPAC name of 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile (CID 172892296) is 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile.
What is the SMILES notation for 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile?
The canonical SMILES for 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile is Cc1cc(N(C)C2CCCN(Cc3ccccc3C#N)C2)ncn1.
What is the InChIKey of 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile?
The InChIKey is YAHCNVZNPGDZRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5/c1-15-10-19(22-14-21-15)23(2)18-8-5-9-24(13-18)12-17-7-4-3-6-16(17)11-20/h3-4,6-7,10,14,18H,5,8-9,12-13H2,1-2H3.
What are the key properties of 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile?
2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile has a molecular weight of 321.43 g/mol, XLogP of 2.76, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[3-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methyl]benzonitrile is sourced from PubChem (CID 172892296), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).