N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

C17H20N6 — CID 126887226

IUPACN-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCn1c(N2CCC(Nc3ccncn3)CC2)nc2ccccc21
InChIInChI=1S/C17H20N6/c1-22-15-5-3-2-4-14(15)21-17(22)23-10-7-13(8-11-23)20-16-6-9-18-12-19-16/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,19,20)
InChIKeyHAGDVFPJCAOXPL-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.44
Rot. Bonds3

About N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine

N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (PubChem CID 126887226) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
PubChem CID126887226
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC NameN-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
SMILESCn1c(N2CCC(Nc3ccncn3)CC2)nc2ccccc21
InChIInChI=1S/C17H20N6/c1-22-15-5-3-2-4-14(15)21-17(22)23-10-7-13(8-11-23)20-16-6-9-18-12-19-16/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,19,20)
InChIKeyHAGDVFPJCAOXPL-UHFFFAOYSA-N
XLogP2.44
TPSA58.87 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.44
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]cyclobutanecarboxamide
CID 165434989
N-[1-[4-(trifluoromethyl)pyrimidin-2-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887197
3-methyl-2-[4-[(6-methylpyrimidin-4-yl)amino]piperidin-1-yl]quinazolin-4-one
CID 126887882
N-[1-(5-cyclopropyl-1,3,4-thiadiazol-2-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887241
N-cyclopentyl-1-methylbenzimidazol-2-amine
CID 923815
N-cyclopentyl-2-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]acetamide
CID 171994814
N-[4-(4-methylpiperazin-1-yl)cyclohexyl]pyrimidin-4-amine
CID 57208606
N-[1-(6-cyclopropylpyridazin-3-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887238
N-[1-[3-(methoxymethyl)-1,2,4-thiadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887417
N-[1-[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]piperidin-4-yl]pyrimidin-4-amine
CID 126887423
cyclopropyl-[4-(pyrimidin-4-ylamino)piperidin-1-yl]methanone
CID 126887079
N-[1-(3-cyclobutyl-1,2,4-thiadiazol-5-yl)piperidin-4-yl]pyrimidin-4-amine
CID 126887407

Frequently Asked Questions

What is the IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The IUPAC name of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine (CID 126887226) is N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The canonical SMILES for N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is Cn1c(N2CCC(Nc3ccncn3)CC2)nc2ccccc21.
What is the InChIKey of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
The InChIKey is HAGDVFPJCAOXPL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c1-22-15-5-3-2-4-14(15)21-17(22)23-10-7-13(8-11-23)20-16-6-9-18-12-19-16/h2-6,9,12-13H,7-8,10-11H2,1H3,(H,18,19,20).
What are the key properties of N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine?
N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.44, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(1-methylbenzimidazol-2-yl)piperidin-4-yl]pyrimidin-4-amine is sourced from PubChem (CID 126887226), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).