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

C18H22N6 — CID 95216424

IUPACN-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESc1ccc2[nH]c(CCNc3cc([C@H]4CCCNC4)ncn3)nc2c1
InChIInChI=1S/C18H22N6/c1-2-6-15-14(5-1)23-17(24-15)7-9-20-18-10-16(21-12-22-18)13-4-3-8-19-11-13/h1-2,5-6,10,12-13,19H,3-4,7-9,11H2,(H,23,24)(H,20,21,22)/t13-/m0/s1
InChIKeyILVAWBDQDFVSGT-ZDUSSCGKSA-N
MW322.42 g/mol
LogP2.47
Rot. Bonds5

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

N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine (PubChem CID 95216424) has the molecular formula C18H22N6 and a molecular weight of 322.42 g/mol. Its IUPAC name is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
PubChem CID95216424
Molecular FormulaC18H22N6
Molecular Weight322.42 g/mol
Exact Mass322.19
IUPAC NameN-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
SMILESc1ccc2[nH]c(CCNc3cc([C@H]4CCCNC4)ncn3)nc2c1
InChIInChI=1S/C18H22N6/c1-2-6-15-14(5-1)23-17(24-15)7-9-20-18-10-16(21-12-22-18)13-4-3-8-19-11-13/h1-2,5-6,10,12-13,19H,3-4,7-9,11H2,(H,23,24)(H,20,21,22)/t13-/m0/s1
InChIKeyILVAWBDQDFVSGT-ZDUSSCGKSA-N
XLogP2.47
TPSA78.52 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.42
LogP ≤ 52.47
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

6-piperidin-3-yl-N-[2-(4,5,6,7-tetrahydro-1H-indazol-3-yl)ethyl]pyrimidin-4-amine
CID 45173265
N-[2-(3,4-dihydro-2H-quinolin-1-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine
CID 51907450
N-[3-(1H-benzimidazol-2-yl)propyl]-6-(3-methylpiperidin-1-yl)pyrimidin-4-amine
CID 133359380
2-[(3S)-piperidin-3-yl]-1H-benzimidazole;dihydrochloride
CID 131870823
N-(1H-benzimidazol-2-ylmethyl)azepan-4-amine
CID 103982041
6-(3-aminocyclobutyl)-4-N-[3-(1H-benzimidazol-2-yl)propyl]pyrimidine-2,4-diamine
CID 91763313
4-[6-[3-(1H-benzimidazol-2-yl)propylamino]pyrimidin-4-yl]-1-methylpiperazin-2-one
CID 133464172
N-[(3R)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637322
N-[(3S)-piperidin-3-yl]-1H-benzimidazol-2-amine;hydrochloride
CID 71637361
N-(1H-benzimidazol-2-ylmethyl)-N-propylpiperidin-3-amine
CID 63637511
N-(1H-benzimidazol-2-ylmethyl)-4-methyl-2-oxo-6-piperidin-3-ylpyran-3-carboxamide
CID 170513093
6-cyclobutyl-N-propylpyrimidin-4-amine
CID 126848136

Frequently Asked Questions

What is the IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The IUPAC name of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine (CID 95216424) is N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine.
What is the SMILES notation for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The canonical SMILES for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine is c1ccc2[nH]c(CCNc3cc([C@H]4CCCNC4)ncn3)nc2c1.
What is the InChIKey of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
The InChIKey is ILVAWBDQDFVSGT-ZDUSSCGKSA-N. The full InChI is InChI=1S/C18H22N6/c1-2-6-15-14(5-1)23-17(24-15)7-9-20-18-10-16(21-12-22-18)13-4-3-8-19-11-13/h1-2,5-6,10,12-13,19H,3-4,7-9,11H2,(H,23,24)(H,20,21,22)/t13-/m0/s1.
What are the key properties of N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine?
N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine has a molecular weight of 322.42 g/mol, XLogP of 2.47, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(1H-benzimidazol-2-yl)ethyl]-6-[(3S)-piperidin-3-yl]pyrimidin-4-amine is sourced from PubChem (CID 95216424), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).