6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine

C17H20N6 — CID 72851412

IUPAC6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCCC(Cc3nc4ccccc4[nH]3)C2)ncn1
InChIInChI=1S/C17H20N6/c18-15-9-17(20-11-19-15)23-7-3-4-12(10-23)8-16-21-13-5-1-2-6-14(13)22-16/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,21,22)(H2,18,19,20)
InChIKeySFEIVYVKAULTCG-UHFFFAOYSA-N
MW308.39 g/mol
LogP2.39
Rot. Bonds3

About 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine

6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine (PubChem CID 72851412) has the molecular formula C17H20N6 and a molecular weight of 308.39 g/mol. Its IUPAC name is 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine.

Molecular Properties

Compound Name6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
PubChem CID72851412
Molecular FormulaC17H20N6
Molecular Weight308.39 g/mol
Exact Mass308.17
IUPAC Name6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine
SMILESNc1cc(N2CCCC(Cc3nc4ccccc4[nH]3)C2)ncn1
InChIInChI=1S/C17H20N6/c18-15-9-17(20-11-19-15)23-7-3-4-12(10-23)8-16-21-13-5-1-2-6-14(13)22-16/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,21,22)(H2,18,19,20)
InChIKeySFEIVYVKAULTCG-UHFFFAOYSA-N
XLogP2.39
TPSA83.72 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.39
LogP ≤ 52.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-[[1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 72917014
2-[[(3S)-1-(6-methylpyridazin-3-yl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 97453733
2-[[1-(6-methylpyrimidin-4-yl)piperidin-4-yl]methyl]-1H-benzimidazole
CID 125423881
4-[(3R)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1,3-dimethylpyrazolo[5,4-d]pyrimidine
CID 95880816
2-[[1-(1H-benzimidazol-2-ylmethyl)piperidin-3-yl]methyl]-1H-benzimidazole
CID 46981222
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133359380
2-[3-[[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]phenyl]ethanamine
CID 56900334
1-[2-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-4-methylpyrimidin-5-yl]ethanone
CID 72870241
6-[4-(1H-benzimidazol-2-yl)-1,4-diazepan-1-yl]-N-(cyclopropylmethyl)pyrimidin-4-amine
CID 75433494
5-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-1-methyl-1,2,4-triazole-3-carboxylic acid
CID 146041840
[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]-(1-benzofuran-5-yl)methanone
CID 97150529
5-[[(3S)-3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]methyl]quinoxaline
CID 95728190

Frequently Asked Questions

What is the IUPAC name of 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
The IUPAC name of 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine (CID 72851412) is 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine.
What is the SMILES notation for 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
The canonical SMILES for 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine is Nc1cc(N2CCCC(Cc3nc4ccccc4[nH]3)C2)ncn1.
What is the InChIKey of 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
The InChIKey is SFEIVYVKAULTCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N6/c18-15-9-17(20-11-19-15)23-7-3-4-12(10-23)8-16-21-13-5-1-2-6-14(13)22-16/h1-2,5-6,9,11-12H,3-4,7-8,10H2,(H,21,22)(H2,18,19,20).
What are the key properties of 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine?
6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine has a molecular weight of 308.39 g/mol, XLogP of 2.39, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[3-(1H-benzimidazol-2-ylmethyl)piperidin-1-yl]pyrimidin-4-amine is sourced from PubChem (CID 72851412), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).