5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

C19H16F2N6O — CID 90182271

IUPAC5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2nc(-n3c(C)nc4ccc(F)cc43)nc(N)c2F)c1
InChIInChI=1S/C19H16F2N6O/c1-10-23-14-7-6-11(20)8-15(14)27(10)19-25-17(22)16(21)18(26-19)24-12-4-3-5-13(9-12)28-2/h3-9H,1-2H3,(H3,22,24,25,26)
InChIKeyGBXMHMAWNQIZNM-UHFFFAOYSA-N
MW382.37 g/mol
LogP3.74
Rot. Bonds4

About 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine

5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (PubChem CID 90182271) has the molecular formula C19H16F2N6O and a molecular weight of 382.37 g/mol. Its IUPAC name is 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
PubChem CID90182271
Molecular FormulaC19H16F2N6O
Molecular Weight382.37 g/mol
Exact Mass382.14
IUPAC Name5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine
SMILESCOc1cccc(Nc2nc(-n3c(C)nc4ccc(F)cc43)nc(N)c2F)c1
InChIInChI=1S/C19H16F2N6O/c1-10-23-14-7-6-11(20)8-15(14)27(10)19-25-17(22)16(21)18(26-19)24-12-4-3-5-13(9-12)28-2/h3-9H,1-2H3,(H3,22,24,25,26)
InChIKeyGBXMHMAWNQIZNM-UHFFFAOYSA-N
XLogP3.74
TPSA90.88 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.37
LogP ≤ 53.74
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The IUPAC name of 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine (CID 90182271) is 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The canonical SMILES for 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is COc1cccc(Nc2nc(-n3c(C)nc4ccc(F)cc43)nc(N)c2F)c1.
What is the InChIKey of 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
The InChIKey is GBXMHMAWNQIZNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16F2N6O/c1-10-23-14-7-6-11(20)8-15(14)27(10)19-25-17(22)16(21)18(26-19)24-12-4-3-5-13(9-12)28-2/h3-9H,1-2H3,(H3,22,24,25,26).
What are the key properties of 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine?
5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine has a molecular weight of 382.37 g/mol, XLogP of 3.74, 4 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-2-(6-fluoro-2-methylbenzimidazol-1-yl)-4-N-(3-methoxyphenyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 90182271), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).