4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine

C16H16FN5O — CID 75391034

IUPAC4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine
SMILESCn1c(-c2cnc(N3CCOCC3)nc2)nc2ccc(F)cc21
InChIInChI=1S/C16H16FN5O/c1-21-14-8-12(17)2-3-13(14)20-15(21)11-9-18-16(19-10-11)22-4-6-23-7-5-22/h2-3,8-10H,4-7H2,1H3
InChIKeyKINWBZKHRJKROR-UHFFFAOYSA-N
MW313.34 g/mol
LogP2.01
Rot. Bonds2

About 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine

4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine (PubChem CID 75391034) has the molecular formula C16H16FN5O and a molecular weight of 313.34 g/mol. Its IUPAC name is 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine
PubChem CID75391034
Molecular FormulaC16H16FN5O
Molecular Weight313.34 g/mol
Exact Mass313.13
IUPAC Name4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine
SMILESCn1c(-c2cnc(N3CCOCC3)nc2)nc2ccc(F)cc21
InChIInChI=1S/C16H16FN5O/c1-21-14-8-12(17)2-3-13(14)20-15(21)11-9-18-16(19-10-11)22-4-6-23-7-5-22/h2-3,8-10H,4-7H2,1H3
InChIKeyKINWBZKHRJKROR-UHFFFAOYSA-N
XLogP2.01
TPSA56.07 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500313.34
LogP ≤ 52.01
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine 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 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine (CID 75391034) is 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine is Cn1c(-c2cnc(N3CCOCC3)nc2)nc2ccc(F)cc21.
What is the InChIKey of 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine?
The InChIKey is KINWBZKHRJKROR-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16FN5O/c1-21-14-8-12(17)2-3-13(14)20-15(21)11-9-18-16(19-10-11)22-4-6-23-7-5-22/h2-3,8-10H,4-7H2,1H3.
What are the key properties of 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine?
4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine has a molecular weight of 313.34 g/mol, XLogP of 2.01, 2 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-(6-fluoro-1-methylbenzimidazol-2-yl)pyrimidin-2-yl]morpholine is sourced from PubChem (CID 75391034), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).