6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide

C15H17ClN4O2 — CID 109338561

IUPAC6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cc(Cl)ccc2OC)ncn1
InChIInChI=1S/C15H17ClN4O2/c1-3-6-17-15(21)12-8-14(19-9-18-12)20-11-7-10(16)4-5-13(11)22-2/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyMTDVBULSECLGSP-UHFFFAOYSA-N
MW320.78 g/mol
LogP3.02
Rot. Bonds6

About 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide

6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide (PubChem CID 109338561) has the molecular formula C15H17ClN4O2 and a molecular weight of 320.78 g/mol. Its IUPAC name is 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
PubChem CID109338561
Molecular FormulaC15H17ClN4O2
Molecular Weight320.78 g/mol
Exact Mass320.10
IUPAC Name6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
SMILESCCCNC(=O)c1cc(Nc2cc(Cl)ccc2OC)ncn1
InChIInChI=1S/C15H17ClN4O2/c1-3-6-17-15(21)12-8-14(19-9-18-12)20-11-7-10(16)4-5-13(11)22-2/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20)
InChIKeyMTDVBULSECLGSP-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

6-(5-chloro-2-methoxyanilino)-N-(4-chlorophenyl)pyrimidine-4-carboxamide
CID 109358267
5-(5-chloro-2-methoxyanilino)-N-propylpyridine-2-carboxamide
CID 109179165
6-(5-chloro-2-methoxyanilino)-N-(furan-2-ylmethyl)pyrimidine-4-carboxamide
CID 109346394
N-(5-chloro-2-methoxyphenyl)-6-(2-fluoroanilino)pyrimidine-4-carboxamide
CID 109357807
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
N-(5-chloro-2-methoxyphenyl)-6-(pentylamino)pyrimidine-4-carboxamide
CID 109354452
6-(5-chloro-2-methoxyanilino)-N-(2,6-dimethylphenyl)pyrimidine-4-carboxamide
CID 109357128
N-(5-chloro-2-methylphenyl)-6-(2-methoxyanilino)pyrimidine-4-carboxamide
CID 109358391
N-butyl-6-(3-chloro-4-methoxyanilino)pyrimidine-4-carboxamide
CID 109340122
N-(5-chloro-2-methoxyphenyl)-6-(3,5-dimethylanilino)pyrimidine-4-carboxamide
CID 109357005
6-(2,5-dichloroanilino)-N-[3-(dimethylamino)propyl]pyrimidine-4-carboxamide
CID 109345006
6-(2-ethylanilino)-N-propylpyrimidine-4-carboxamide
CID 109338538

Frequently Asked Questions

What is the IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The IUPAC name of 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide (CID 109338561) is 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide.
What is the SMILES notation for 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The canonical SMILES for 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide is CCCNC(=O)c1cc(Nc2cc(Cl)ccc2OC)ncn1.
What is the InChIKey of 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
The InChIKey is MTDVBULSECLGSP-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17ClN4O2/c1-3-6-17-15(21)12-8-14(19-9-18-12)20-11-7-10(16)4-5-13(11)22-2/h4-5,7-9H,3,6H2,1-2H3,(H,17,21)(H,18,19,20).
What are the key properties of 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide?
6-(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 6-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide is sourced from PubChem (CID 109338561), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).