6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine

C15H17ClN6 — CID 134001512

IUPAC6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1nc2ccccc2n1CCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C15H17ClN6/c1-10-19-11-5-2-3-6-12(11)22(10)8-4-7-18-14-9-13(16)20-15(17)21-14/h2-3,5-6,9H,4,7-8H2,1H3,(H3,17,18,20,21)
InChIKeyYRPZFMOMNRVFAR-UHFFFAOYSA-N
MW316.80 g/mol
LogP2.87
Rot. Bonds5

About 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine

6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine (PubChem CID 134001512) has the molecular formula C15H17ClN6 and a molecular weight of 316.80 g/mol. Its IUPAC name is 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine
PubChem CID134001512
Molecular FormulaC15H17ClN6
Molecular Weight316.80 g/mol
Exact Mass316.12
IUPAC Name6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine
SMILESCc1nc2ccccc2n1CCCNc1cc(Cl)nc(N)n1
InChIInChI=1S/C15H17ClN6/c1-10-19-11-5-2-3-6-12(11)22(10)8-4-7-18-14-9-13(16)20-15(17)21-14/h2-3,5-6,9H,4,7-8H2,1H3,(H3,17,18,20,21)
InChIKeyYRPZFMOMNRVFAR-UHFFFAOYSA-N
XLogP2.87
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.80
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

6-chloro-N-[2-(2-methylbenzimidazol-1-yl)ethyl]pyrazin-2-amine
CID 47151419
4,5-dichloro-N-[3-(2-methylbenzimidazol-1-yl)propyl]-1H-pyrrole-2-carboxamide
CID 78839389
2-(4-chlorophenoxy)-2-methyl-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51862887
1-[3-(4-chlorophenyl)propyl]-2-methylbenzimidazole
CID 134123820
6-chloro-4-N-(3,3-diphenylpropyl)pyrimidine-2,4-diamine
CID 100566790
2-methyl-1-(3-methylsulfonylpropyl)benzimidazole
CID 79760730
ethyl 2-[3-(2-methylbenzimidazol-1-yl)propylamino]-2-oxoacetate
CID 110292029
6-chloro-4-N-[1-(1-ethylbenzimidazol-2-yl)ethyl]pyrimidine-2,4-diamine
CID 133277314
3-(4-chlorophenyl)-N-[3-(2-methylbenzimidazol-1-yl)propyl]propanamide
CID 51336912
6-chloro-4-N-dodecylpyrimidine-2,4-diamine
CID 15428977
6-chloro-4-N-(4,4,4-trifluorobutyl)pyrimidine-2,4-diamine
CID 79040692
2-[(4-chlorophenyl)methylsulfanyl]-N-[3-(2-methylbenzimidazol-1-yl)propyl]acetamide
CID 55340316

Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine?
The IUPAC name of 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine (CID 134001512) is 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine?
The canonical SMILES for 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine is Cc1nc2ccccc2n1CCCNc1cc(Cl)nc(N)n1.
What is the InChIKey of 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine?
The InChIKey is YRPZFMOMNRVFAR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN6/c1-10-19-11-5-2-3-6-12(11)22(10)8-4-7-18-14-9-13(16)20-15(17)21-14/h2-3,5-6,9H,4,7-8H2,1H3,(H3,17,18,20,21).
What are the key properties of 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine?
6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine has a molecular weight of 316.80 g/mol, XLogP of 2.87, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-N-[3-(2-methylbenzimidazol-1-yl)propyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 134001512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).