5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine

C22H22F2N6O — CID 118859641

IUPAC5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOCc1ccc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)nc1
InChIInChI=1S/C22H22F2N6O/c1-12(2)30-13(3)27-21-16(23)7-15(8-18(21)30)20-17(24)10-26-22(29-20)28-19-6-5-14(9-25-19)11-31-4/h5-10,12H,11H2,1-4H3,(H,25,26,28,29)
InChIKeyOEJHZIRIXKPBLS-UHFFFAOYSA-N
MW424.46 g/mol
LogP4.95
Rot. Bonds6

About 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine

5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine (PubChem CID 118859641) has the molecular formula C22H22F2N6O and a molecular weight of 424.46 g/mol. Its IUPAC name is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine
PubChem CID118859641
Molecular FormulaC22H22F2N6O
Molecular Weight424.46 g/mol
Exact Mass424.18
IUPAC Name5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine
SMILESCOCc1ccc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)nc1
InChIInChI=1S/C22H22F2N6O/c1-12(2)30-13(3)27-21-16(23)7-15(8-18(21)30)20-17(24)10-26-22(29-20)28-19-6-5-14(9-25-19)11-31-4/h5-10,12H,11H2,1-4H3,(H,25,26,28,29)
InChIKeyOEJHZIRIXKPBLS-UHFFFAOYSA-N
XLogP4.95
TPSA77.75 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500424.46
LogP ≤ 54.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine?
The IUPAC name of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine (CID 118859641) is 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine.
What is the SMILES notation for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine?
The canonical SMILES for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine is COCc1ccc(Nc2ncc(F)c(-c3cc(F)c4nc(C)n(C(C)C)c4c3)n2)nc1.
What is the InChIKey of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine?
The InChIKey is OEJHZIRIXKPBLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H22F2N6O/c1-12(2)30-13(3)27-21-16(23)7-15(8-18(21)30)20-17(24)10-26-22(29-20)28-19-6-5-14(9-25-19)11-31-4/h5-10,12H,11H2,1-4H3,(H,25,26,28,29).
What are the key properties of 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine?
5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine has a molecular weight of 424.46 g/mol, XLogP of 4.95, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-fluoro-4-(7-fluoro-2-methyl-3-propan-2-ylbenzimidazol-5-yl)-N-[5-(methoxymethyl)-2-pyridinyl]pyrimidin-2-amine is sourced from PubChem (CID 118859641), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).