2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide

C15H17ClN4O — CID 109295042

IUPAC2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H17ClN4O/c1-3-7-17-14(21)13-6-8-18-15(20-13)19-12-5-4-11(16)9-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyBMZKZAXNOMENTN-UHFFFAOYSA-N
MW304.78 g/mol
LogP3.32
Rot. Bonds5

About 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide

2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109295042) has the molecular formula C15H17ClN4O and a molecular weight of 304.78 g/mol. Its IUPAC name is 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109295042
Molecular FormulaC15H17ClN4O
Molecular Weight304.78 g/mol
Exact Mass304.11
IUPAC Name2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2C)n1
InChIInChI=1S/C15H17ClN4O/c1-3-7-17-14(21)13-6-8-18-15(20-13)19-12-5-4-11(16)9-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyBMZKZAXNOMENTN-UHFFFAOYSA-N
XLogP3.32
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.78
LogP ≤ 53.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloro-2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312123
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
2-(4-chloro-2-methylanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315331
N-(4-chloro-2-methylphenyl)-2-(2-ethylanilino)pyrimidine-4-carboxamide
CID 109315533
N-butyl-2-(4-chloro-2-methylanilino)-6-methylpyrimidine-4-carboxamide
CID 109320721
6-(4-chloro-2-methylanilino)-2-methyl-N-propylpyrimidine-4-carboxamide
CID 109360296
2-[4-chloro-2-(trifluoromethyl)anilino]-N-pentylpyrimidine-4-carboxamide
CID 109312178
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
N-(1,3-benzodioxol-5-ylmethyl)-2-(4-chloro-2-methylanilino)pyrimidine-4-carboxamide
CID 109306658
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide (CID 109295042) is 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2C)n1.
What is the InChIKey of 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is BMZKZAXNOMENTN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O/c1-3-7-17-14(21)13-6-8-18-15(20-13)19-12-5-4-11(16)9-10(12)2/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide?
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 304.78 g/mol, XLogP of 3.32, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).