2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide

C15H17ClN4O2 — CID 109295047

IUPAC2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C15H17ClN4O2/c1-3-7-17-14(21)11-6-8-18-15(19-11)20-12-9-10(16)4-5-13(12)22-2/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyIASWZHNJRTVOAT-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.02
Rot. Bonds6

About 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide

2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109295047) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109295047
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1ccnc(Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C15H17ClN4O2/c1-3-7-17-14(21)11-6-8-18-15(19-11)20-12-9-10(16)4-5-13(12)22-2/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyIASWZHNJRTVOAT-UHFFFAOYSA-N
XLogP3.02
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500320.78
LogP ≤ 53.02
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(4-chloro-2-methylanilino)-N-propylpyrimidine-4-carboxamide
CID 109295042
2-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109303517
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109338561
2-(4-chloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295039
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013
2-(5-chloro-2-methoxyanilino)-N-(1-phenylethyl)pyrimidine-4-carboxamide
CID 109304925
2-(4-chloro-2-methylanilino)-N-pentylpyrimidine-4-carboxamide
CID 109312123
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
N-(1,3-benzodioxol-5-yl)-2-(5-chloro-2-methoxyanilino)pyrimidine-4-carboxamide
CID 109317459
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109312912
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101

Frequently Asked Questions

What is the IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide (CID 109295047) is 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1ccnc(Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is IASWZHNJRTVOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-3-7-17-14(21)11-6-8-18-15(19-11)20-12-9-10(16)4-5-13(12)22-2/h4-6,8-9H,3,7H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide has a molecular weight of 320.78 g/mol, XLogP of 3.02, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109295047), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).