2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide

C18H21FN4O — CID 109322751

IUPAC2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H21FN4O/c1-12-10-16(17(24)21-15-9-5-6-13(19)11-15)23-18(20-12)22-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyHENKYZKMNBELTF-UHFFFAOYSA-N
MW328.39 g/mol
LogP3.92
Rot. Bonds4

About 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide

2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (PubChem CID 109322751) has the molecular formula C18H21FN4O and a molecular weight of 328.39 g/mol. Its IUPAC name is 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
PubChem CID109322751
Molecular FormulaC18H21FN4O
Molecular Weight328.39 g/mol
Exact Mass328.17
IUPAC Name2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(F)c2)nc(NC2CCCCC2)n1
InChIInChI=1S/C18H21FN4O/c1-12-10-16(17(24)21-15-9-5-6-13(19)11-15)23-18(20-12)22-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,21,24)(H,20,22,23)
InChIKeyHENKYZKMNBELTF-UHFFFAOYSA-N
XLogP3.92
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500328.39
LogP ≤ 53.92
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332882
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cyclopropylamino)-6-methyl-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109319783
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046
5-(cyclohexylamino)-N-(3-fluorophenyl)pyridine-2-carboxamide
CID 109183205
2-(4-fluoroanilino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336871
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
2-(cyclopropylamino)-N-(2,6-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109319743

Frequently Asked Questions

What is the IUPAC name of 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide (CID 109322751) is 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(F)c2)nc(NC2CCCCC2)n1.
What is the InChIKey of 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
The InChIKey is HENKYZKMNBELTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21FN4O/c1-12-10-16(17(24)21-15-9-5-6-13(19)11-15)23-18(20-12)22-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,21,24)(H,20,22,23).
What are the key properties of 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide?
2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide has a molecular weight of 328.39 g/mol, XLogP of 3.92, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322751), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).