4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

C18H14ClFN6 — CID 90177744

IUPAC4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClFN6/c1-10-22-13-4-2-3-5-14(13)26(10)18-24-16(21)15(20)17(25-18)23-12-8-6-11(19)7-9-12/h2-9H,1H3,(H3,21,23,24,25)
InChIKeyIMVUGEHYYZLOCF-UHFFFAOYSA-N
MW368.80 g/mol
LogP4.24
Rot. Bonds3

About 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine

4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (PubChem CID 90177744) has the molecular formula C18H14ClFN6 and a molecular weight of 368.80 g/mol. Its IUPAC name is 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
PubChem CID90177744
Molecular FormulaC18H14ClFN6
Molecular Weight368.80 g/mol
Exact Mass368.10
IUPAC Name4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine
SMILESCc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C18H14ClFN6/c1-10-22-13-4-2-3-5-14(13)26(10)18-24-16(21)15(20)17(25-18)23-12-8-6-11(19)7-9-12/h2-9H,1H3,(H3,21,23,24,25)
InChIKeyIMVUGEHYYZLOCF-UHFFFAOYSA-N
XLogP4.24
TPSA81.65 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.80
LogP ≤ 54.24
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The IUPAC name of 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine (CID 90177744) is 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine.
What is the SMILES notation for 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The canonical SMILES for 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is Cc1nc2ccccc2n1-c1nc(N)c(F)c(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
The InChIKey is IMVUGEHYYZLOCF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H14ClFN6/c1-10-22-13-4-2-3-5-14(13)26(10)18-24-16(21)15(20)17(25-18)23-12-8-6-11(19)7-9-12/h2-9H,1H3,(H3,21,23,24,25).
What are the key properties of 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine?
4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine has a molecular weight of 368.80 g/mol, XLogP of 4.24, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-N-(4-chlorophenyl)-5-fluoro-2-(2-methylbenzimidazol-1-yl)pyrimidine-4,6-diamine is sourced from PubChem (CID 90177744), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).