N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide

C19H22ClFN4O — CID 109332882

IUPACN-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)nc(NC2CCCCCC2)n1
InChIInChI=1S/C19H22ClFN4O/c1-12-10-17(18(26)23-14-8-9-16(21)15(20)11-14)25-19(22-12)24-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyBZRLPQWHZAKTSD-UHFFFAOYSA-N
MW376.86 g/mol
LogP4.96
Rot. Bonds4

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

N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109332882) has the molecular formula C19H22ClFN4O and a molecular weight of 376.86 g/mol. Its IUPAC name is N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109332882
Molecular FormulaC19H22ClFN4O
Molecular Weight376.86 g/mol
Exact Mass376.15
IUPAC NameN-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2ccc(F)c(Cl)c2)nc(NC2CCCCCC2)n1
InChIInChI=1S/C19H22ClFN4O/c1-12-10-17(18(26)23-14-8-9-16(21)15(20)11-14)25-19(22-12)24-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,23,26)(H,22,24,25)
InChIKeyBZRLPQWHZAKTSD-UHFFFAOYSA-N
XLogP4.96
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500376.86
LogP ≤ 54.96
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109322751
N-(4-acetylphenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322740
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(3-chloro-4-fluorophenyl)-6-methyl-2-(propan-2-ylamino)pyrimidine-4-carboxamide
CID 109319375
N-(4-acetylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322046
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002
N-(3-chloro-4-fluorophenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249827
2-(cyclopropylamino)-6-methyl-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109319750
2-(3-chloro-4-fluoroanilino)-N-(4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109336900
2-(3-chloroanilino)-N-(3-chloro-4-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109337037
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide (CID 109332882) is N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2ccc(F)c(Cl)c2)nc(NC2CCCCCC2)n1.
What is the InChIKey of N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is BZRLPQWHZAKTSD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22ClFN4O/c1-12-10-17(18(26)23-14-8-9-16(21)15(20)11-14)25-19(22-12)24-13-6-4-2-3-5-7-13/h8-11,13H,2-7H2,1H3,(H,23,26)(H,22,24,25).
What are the key properties of N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide?
N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide has a molecular weight of 376.86 g/mol, XLogP of 4.96, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chloro-4-fluorophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109332882), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).