N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide

C18H21ClN4O — CID 109250566

IUPACN-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C18H21ClN4O/c1-12-15(19)8-5-9-16(12)23-17(24)13-10-20-18(21-11-13)22-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyFSLKBAPIPIBQJC-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.44
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide

N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide (PubChem CID 109250566) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
PubChem CID109250566
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
SMILESCc1c(Cl)cccc1NC(=O)c1cnc(NC2CCCCC2)nc1
InChIInChI=1S/C18H21ClN4O/c1-12-15(19)8-5-9-16(12)23-17(24)13-10-20-18(21-11-13)22-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7H2,1H3,(H,23,24)(H,20,21,22)
InChIKeyFSLKBAPIPIBQJC-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-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322021
2-(cyclohexylamino)-N-(2,6-dimethylphenyl)pyrimidine-5-carboxamide
CID 109250548
2-(2-chloroanilino)-N-(3-chloro-2-methylphenyl)pyrimidine-5-carboxamide
CID 109268651
2-(cycloheptylamino)-N-(2-ethylphenyl)pyrimidine-5-carboxamide
CID 109263201
2-(cyclohexylamino)-N-(2,5-dichlorophenyl)pyrimidine-5-carboxamide
CID 109250627
2-(cycloheptylamino)-N-(2-methoxyphenyl)pyrimidine-5-carboxamide
CID 109263226
N-(3-chlorophenyl)-2-(cycloheptylamino)pyrimidine-5-carboxamide
CID 109263215
ethyl 2-[[2-(cyclohexylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109250634
N-(3-chloro-2-methylphenyl)-2-[(4-chlorophenyl)methylamino]pyrimidine-5-carboxamide
CID 109257733
3-chloro-N-cyclohexyl-2-methylaniline
CID 29276475
methyl 4-chloro-3-[[2-(cyclopentylamino)pyrimidine-5-carbonyl]amino]benzoate
CID 109249854

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide (CID 109250566) is N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide is Cc1c(Cl)cccc1NC(=O)c1cnc(NC2CCCCC2)nc1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
The InChIKey is FSLKBAPIPIBQJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-12-15(19)8-5-9-16(12)23-17(24)13-10-20-18(21-11-13)22-14-6-3-2-4-7-14/h5,8-11,14H,2-4,6-7H2,1H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-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-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide is sourced from PubChem (CID 109250566), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).