N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide

C18H21ClN4O — CID 109341311

IUPACN-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NC3CCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O/c1-11-7-12(2)17(14(19)8-11)23-18(24)15-9-16(21-10-20-15)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyFMHBGWFRGJWHQL-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.35
Rot. Bonds4

About N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide

N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide (PubChem CID 109341311) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
PubChem CID109341311
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
SMILESCc1cc(C)c(NC(=O)c2cc(NC3CCCC3)ncn2)c(Cl)c1
InChIInChI=1S/C18H21ClN4O/c1-11-7-12(2)17(14(19)8-11)23-18(24)15-9-16(21-10-20-15)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,23,24)(H,20,21,22)
InChIKeyFMHBGWFRGJWHQL-UHFFFAOYSA-N
XLogP4.35
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 ≤ 54.35
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-chloro-4,6-dimethylphenyl)-6-[(1,1-dioxothiolan-3-yl)amino]pyrimidine-4-carboxamide
CID 109351769
N-(2-chloro-4,6-dimethylphenyl)-4-(cyclopentylamino)pyridine-2-carboxamide
CID 109204288
N-(3-chloro-4-methylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341309
N-(2-chlorophenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide
CID 109341303
6-(2-chloro-4,6-dimethylanilino)-N-(oxolan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109343981
N-(4-acetamidophenyl)-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 46880877
N-cyclohexyl-6-(cyclohexylamino)pyrimidine-4-carboxamide
CID 109341807
6-(cyclohexylamino)-N-[4-(dimethylamino)phenyl]pyrimidine-4-carboxamide
CID 109341935
N-(2-chloro-4,6-dimethylphenyl)-3-(cyclopentylamino)propanamide
CID 109013703
ethyl 4-[[6-[(2,6-dimethylphenyl)carbamoyl]pyrimidin-4-yl]amino]piperidine-1-carboxylate
CID 109352740
6-(cycloheptylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109354003
6-(cyclohexylamino)-N-(4-ethoxyphenyl)pyrimidine-4-carboxamide
CID 109341918

Frequently Asked Questions

What is the IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide (CID 109341311) is N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide is Cc1cc(C)c(NC(=O)c2cc(NC3CCCC3)ncn2)c(Cl)c1.
What is the InChIKey of N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
The InChIKey is FMHBGWFRGJWHQL-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-11-7-12(2)17(14(19)8-11)23-18(24)15-9-16(21-10-20-15)22-13-5-3-4-6-13/h7-10,13H,3-6H2,1-2H3,(H,23,24)(H,20,21,22).
What are the key properties of N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide?
N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide has a molecular weight of 344.85 g/mol, XLogP of 4.35, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-chloro-4,6-dimethylphenyl)-6-(cyclopentylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109341311), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).