6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine

C15H17ClN6 — CID 133277314

IUPAC6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCn1c(C(C)Nc2cc(Cl)nc(N)n2)nc2ccccc21
InChIInChI=1S/C15H17ClN6/c1-3-22-11-7-5-4-6-10(11)19-14(22)9(2)18-13-8-12(16)20-15(17)21-13/h4-9H,3H2,1-2H3,(H3,17,18,20,21)
InChIKeyUKGACFQWIJIRIZ-UHFFFAOYSA-N
MW316.80 g/mol
LogP3.25
Rot. Bonds4

About 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine

6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine (PubChem CID 133277314) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
PubChem CID133277314
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC Name6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
SMILESCCn1c(C(C)Nc2cc(Cl)nc(N)n2)nc2ccccc21
InChIInChI=1S/C15H17ClN6/c1-3-22-11-7-5-4-6-10(11)19-14(22)9(2)18-13-8-12(16)20-15(17)21-13/h4-9H,3H2,1-2H3,(H3,17,18,20,21)
InChIKeyUKGACFQWIJIRIZ-UHFFFAOYSA-N
XLogP3.25
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 53.25
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 133475431
6-amino-5-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]pyridine-3-carboxamide
CID 97060163
4-chloro-N-[(1S)-1-(1-ethylbenzimidazol-2-yl)ethyl]benzamide
CID 751147
1-ethyl-2-propan-2-ylbenzimidazole
CID 962427
N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-5-(trifluoromethyl)pyridin-2-amine
CID 133277335
N-[(1R)-1-[1-[(4-chlorophenyl)methyl]benzimidazol-2-yl]ethyl]propanamide
CID 7214248
6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine
CID 134001512
4-amino-5-chloro-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]-2-methoxybenzamide
CID 119866258
2-ethyl-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]butanamide
CID 16968998
4-amino-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pentanamide
CID 120565069
5-bromo-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidin-4-amine
CID 139001898
N-[(1S)-1-[1-(2-methylpropyl)benzimidazol-2-yl]ethyl]propanamide
CID 751204

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine (CID 133277314) is 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine is CCn1c(C(C)Nc2cc(Cl)nc(N)n2)nc2ccccc21.
What is the InChIKey of 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
The InChIKey is UKGACFQWIJIRIZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-3-22-11-7-5-4-6-10(11)19-14(22)9(2)18-13-8-12(16)20-15(17)21-13/h4-9H,3H2,1-2H3,(H3,17,18,20,21).
What are the key properties of 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine has a molecular weight of 316.80 g/mol, XLogP of 3.25, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 133277314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).