N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide

C18H21ClN4O — CID 109322021

IUPACN-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C)nc(NC2CCCC2)n1
InChIInChI=1S/C18H21ClN4O/c1-11-10-16(23-18(20-11)21-13-6-3-4-7-13)17(24)22-15-9-5-8-14(19)12(15)2/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyAJVNNXANBOPBSJ-UHFFFAOYSA-N
MW344.85 g/mol
LogP4.35
Rot. Bonds4

About N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide

N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide (PubChem CID 109322021) has the molecular formula C18H21ClN4O and a molecular weight of 344.85 g/mol. Its IUPAC name is N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
PubChem CID109322021
Molecular FormulaC18H21ClN4O
Molecular Weight344.85 g/mol
Exact Mass344.14
IUPAC NameN-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
SMILESCc1cc(C(=O)Nc2cccc(Cl)c2C)nc(NC2CCCC2)n1
InChIInChI=1S/C18H21ClN4O/c1-11-10-16(23-18(20-11)21-13-6-3-4-7-13)17(24)22-15-9-5-8-14(19)12(15)2/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,22,24)(H,20,21,23)
InChIKeyAJVNNXANBOPBSJ-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-(3-chloro-2-methylphenyl)-2-(cyclopropylamino)-6-methylpyrimidine-4-carboxamide
CID 109319761
2-(cyclohexylamino)-N-(2-ethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322701
2-(cyclopentylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322031
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)pyrimidine-5-carboxamide
CID 109249823
2-(cycloheptylamino)-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109332885
N-(2-cyanophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332917
N-(3-chloro-2-methylphenyl)-2-(cyclohexylamino)pyrimidine-5-carboxamide
CID 109250566
N-(3-acetamidophenyl)-2-(cycloheptylamino)-6-methylpyrimidine-4-carboxamide
CID 109332901
N-(4-chloro-2-methoxy-5-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide
CID 109322086
2-(cyclohexylamino)-N-(3-fluorophenyl)-6-methylpyrimidine-4-carboxamide
CID 109322751
N-(4-acetamidophenyl)-2-(cyclohexylamino)-6-methylpyrimidine-4-carboxamide
CID 109322742
2-(cyclopentylamino)-N-(3,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109322002

Frequently Asked Questions

What is the IUPAC name of N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide (CID 109322021) is N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide is Cc1cc(C(=O)Nc2cccc(Cl)c2C)nc(NC2CCCC2)n1.
What is the InChIKey of N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
The InChIKey is AJVNNXANBOPBSJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN4O/c1-11-10-16(23-18(20-11)21-13-6-3-4-7-13)17(24)22-15-9-5-8-14(19)12(15)2/h5,8-10,13H,3-4,6-7H2,1-2H3,(H,22,24)(H,20,21,23).
What are the key properties of N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide?
N-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-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-(3-chloro-2-methylphenyl)-2-(cyclopentylamino)-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109322021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).