N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine

C18H22N6 — CID 126889305

IUPACN-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(c3nc4ccccc4[nH]3)CC2)ncn1
InChIInChI=1S/C18H22N6/c1-13-11-17(20-12-19-13)23(2)14-7-9-24(10-8-14)18-21-15-5-3-4-6-16(15)22-18/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyXPZWULNEQMMOEU-UHFFFAOYSA-N
MW322.42 g/mol
LogP2.77
Rot. Bonds3

About N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine

N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (PubChem CID 126889305) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
PubChem CID126889305
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine
SMILESCc1cc(N(C)C2CCN(c3nc4ccccc4[nH]3)CC2)ncn1
InChIInChI=1S/C18H22N6/c1-13-11-17(20-12-19-13)23(2)14-7-9-24(10-8-14)18-21-15-5-3-4-6-16(15)22-18/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22)
InChIKeyXPZWULNEQMMOEU-UHFFFAOYSA-N
XLogP2.77
TPSA60.94 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-[3-[methyl-(6-methylpyrimidin-4-yl)amino]pyrrolidin-1-yl]quinoline-3-carbonitrile
CID 171997362
1-methyl-6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]-5H-pyrazolo[5,4-d]pyrimidin-4-one
CID 137097230
N-cyclopropyl-6-methyl-N-[1-(3-methylquinoxalin-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126890518
2-[4-(trifluoromethyl)piperidin-1-yl]-1H-benzimidazole
CID 155941941
2-[4-(methoxymethyl)piperidin-1-yl]-1H-benzimidazole
CID 133410263
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
1,3-benzothiazol-2-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889184
N-cyclobutyl-N-methyl-1H-benzimidazol-2-amine
CID 115143834
1-[1-(1H-benzimidazol-2-yl)pyrrolidin-3-yl]ethanol
CID 112627764
6-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidine-1-carbonyl]-1H-pyridin-2-one
CID 126889556
isoquinolin-1-yl-[4-[methyl-(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]methanone
CID 126889202
[1-(1H-benzimidazol-2-yl)piperidin-4-yl] N-tert-butyl-N-methylcarbamate
CID 54562997

Frequently Asked Questions

What is the IUPAC name of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The IUPAC name of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine (CID 126889305) is N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine.
What is the SMILES notation for N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The canonical SMILES for N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is Cc1cc(N(C)C2CCN(c3nc4ccccc4[nH]3)CC2)ncn1.
What is the InChIKey of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
The InChIKey is XPZWULNEQMMOEU-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22N6/c1-13-11-17(20-12-19-13)23(2)14-7-9-24(10-8-14)18-21-15-5-3-4-6-16(15)22-18/h3-6,11-12,14H,7-10H2,1-2H3,(H,21,22).
What are the key properties of N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine?
N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine has a molecular weight of 322.42 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1H-benzimidazol-2-yl)piperidin-4-yl]-N,6-dimethylpyrimidin-4-amine is sourced from PubChem (CID 126889305), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).