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

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Related Compounds

4-[5-[3-(2-chloro-4-fluorophenyl)imidazo[4,5-c]pyridin-2-yl]pyrimidin-2-yl]morpholine
CID 86270191
4-[5-[5-cyclopropyl-2-(4-fluorophenyl)-1,2,4-triazol-3-yl]pyrimidin-2-yl]morpholine
CID 72936138
4-(6-methylquinazolin-2-yl)morpholine
CID 146428087
1-ethyl-2-(2-morpholin-4-ylpyrimidin-5-yl)benzimidazole-5-carbonitrile
CID 75391041
4-[4-(4-fluoro-2-pyridinyl)-6-morpholin-4-yl-1,3,5-triazin-2-yl]morpholine
CID 58507943
2-amino-4-(6-fluoro-1-methylbenzimidazol-2-yl)phenol
CID 136872115
4-(6-fluoro-1-methylbenzimidazol-2-yl)oxan-4-amine
CID 115292281
N-(4-fluoro-2-methylphenyl)-4-methyl-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959635
2-(6-fluorobenzimidazol-1-yl)-9-(oxan-4-yl)-8-pyridin-4-ylpurine
CID 59704914
N-[(Z)-2-[1-(5-fluoro-2-pyridinyl)-5-methyl-2-(2-morpholin-4-ylpyrimidin-5-yl)imidazol-4-yl]ethenyl]methanimine
CID 129213754
3-(4-fluorophenyl)-2-(2-pyrrolidin-1-ylpyrimidin-5-yl)imidazo[4,5-c]pyridine
CID 86267348
1-(2,4-difluorophenyl)-3-(4,6-dimethyl-2-morpholin-4-ylpyrimidin-5-yl)urea
CID 91968666

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).