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

C18H21ClN4O — CID 109363869

IUPACN-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCC2)cc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-20-16(18(24)23-15-9-5-6-13(19)10-15)11-17(21-12)22-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyYLGGLANOHPQWLD-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.44
Rot. Bonds4

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

N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide (PubChem CID 109363869) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
PubChem CID109363869
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
SMILESCc1nc(NC2CCCCC2)cc(C(=O)Nc2cccc(Cl)c2)n1
InChIInChI=1S/C18H21ClN4O/c1-12-20-16(18(24)23-15-9-5-6-13(19)10-15)11-17(21-12)22-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyYLGGLANOHPQWLD-UHFFFAOYSA-N
XLogP4.44
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.85
LogP ≤ 54.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(3-acetamidophenyl)-6-(cyclopentylamino)-2-methylpyrimidine-4-carboxamide
CID 109363196
6-(3-chloroanilino)-N-cyclohexyl-2-methylpyrimidine-4-carboxamide
CID 109364026
N-(4-acetamidophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide
CID 109363896
6-(cyclohexylamino)-2-methyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109363847
N-(4-acetylphenyl)-6-(cycloheptylamino)-2-methylpyrimidine-4-carboxamide
CID 109373944
6-(cyclohexylamino)-N-(2,6-difluorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363928
6-(cyclohexylamino)-N-(4-methoxyphenyl)-2-methylpyrimidine-4-carboxamide
CID 109363881
6-(cyclopropylamino)-N-(3,4-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109360943
6-(cyclopentylamino)-N-(2,3-dichlorophenyl)-2-methylpyrimidine-4-carboxamide
CID 109363233
6-(cyclohexylamino)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidine-4-carboxamide
CID 109363902
N-(3-chlorophenyl)-2-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109297953
[4-(3-chlorophenyl)piperazin-1-yl]-[6-(cyclopentylamino)-2-methylpyrimidin-4-yl]methanone
CID 109363118

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide (CID 109363869) is N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide is Cc1nc(NC2CCCCC2)cc(C(=O)Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
The InChIKey is YLGGLANOHPQWLD-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-20-16(18(24)23-15-9-5-6-13(19)10-15)11-17(21-12)22-14-7-3-2-4-8-14/h5-6,9-11,14H,2-4,7-8H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide?
N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 4.44, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-chlorophenyl)-6-(cyclohexylamino)-2-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109363869), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).