2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide

C14H15ClN4O — CID 109295039

IUPAC2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN4O/c1-2-8-16-13(20)12-7-9-17-14(19-12)18-11-5-3-10(15)4-6-11/h3-7,9H,2,8H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyTZVXDGWSDGIPLV-UHFFFAOYSA-N
MW290.75 g/mol
LogP3.01
Rot. Bonds5

About 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide

2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109295039) has the molecular formula C14H15ClN4O and a molecular weight of 290.75 g/mol. Its IUPAC name is 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109295039
Molecular FormulaC14H15ClN4O
Molecular Weight290.75 g/mol
Exact Mass290.09
IUPAC Name2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1
InChIInChI=1S/C14H15ClN4O/c1-2-8-16-13(20)12-7-9-17-14(19-12)18-11-5-3-10(15)4-6-11/h3-7,9H,2,8H2,1H3,(H,16,20)(H,17,18,19)
InChIKeyTZVXDGWSDGIPLV-UHFFFAOYSA-N
XLogP3.01
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500290.75
LogP ≤ 53.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-(4-chloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312120
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
2-[(4-chlorophenyl)methylamino]-N-propylpyrimidine-4-carboxamide
CID 109294953
2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
2-(4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312095
2-(3,4-dichloroanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312180
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
2-(4-chloroanilino)-N-(3,4-dimethylphenyl)pyrimidine-4-carboxamide
CID 109315052
2-(3-chloro-4-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312124
2-(3-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295051
2-(4-chloroanilino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109316132
ethyl 4-[[4-[(4-chlorophenyl)carbamoyl]pyrimidin-2-yl]amino]benzoate
CID 109317016

Frequently Asked Questions

What is the IUPAC name of 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide (CID 109295039) is 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(Nc2ccc(Cl)cc2)n1.
What is the InChIKey of 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is TZVXDGWSDGIPLV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15ClN4O/c1-2-8-16-13(20)12-7-9-17-14(19-12)18-11-5-3-10(15)4-6-11/h3-7,9H,2,8H2,1H3,(H,16,20)(H,17,18,19).
What are the key properties of 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide?
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 290.75 g/mol, XLogP of 3.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295039), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).