N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide

C18H23ClN4O2 — CID 109312912

IUPACN-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C18H23ClN4O2/c1-4-10-23(11-5-2)18-20-9-8-14(22-18)17(24)21-15-12-13(19)6-7-16(15)25-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyIYCRDJGMYAUELE-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.02
Rot. Bonds8

About N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide

N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide (PubChem CID 109312912) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
PubChem CID109312912
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC NameN-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide
SMILESCCCN(CCC)c1nccc(C(=O)Nc2cc(Cl)ccc2OC)n1
InChIInChI=1S/C18H23ClN4O2/c1-4-10-23(11-5-2)18-20-9-8-14(22-18)17(24)21-15-12-13(19)6-7-16(15)25-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,24)
InChIKeyIYCRDJGMYAUELE-UHFFFAOYSA-N
XLogP4.02
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500362.86
LogP ≤ 54.02
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyridine-4-carboxamide
CID 109175912
N-(5-chloro-2-methoxyphenyl)-6-(dipropylamino)pyridazine-3-carboxamide
CID 109126166
N-(5-chloro-2-methoxyphenyl)-2-(pentylamino)pyrimidine-4-carboxamide
CID 109312013
6-N-butyl-2-N-(5-chloro-2-methoxyphenyl)-6-N-methylpyridine-2,6-dicarboxamide
CID 109099568
N-[(3,4-dimethoxyphenyl)methyl]-2-(dipropylamino)pyrimidine-4-carboxamide
CID 109309886
2-(5-chloro-2-methoxyanilino)-N-propylpyrimidine-4-carboxamide
CID 109295047
2-[benzyl(ethyl)amino]-N-(2,5-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109306756
2-N-butyl-6-N-(5-chloro-2-methoxyphenyl)pyridine-2,6-dicarboxamide
CID 109094314
N-(5-chloro-2-methoxyphenyl)quinoline-2-carboxamide
CID 2111763
N-(5-chloro-2-methoxyphenyl)-2-(furan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109303347
6-N-(5-chloro-2-methoxyphenyl)-2-N-[2-(dimethylamino)ethyl]pyridine-2,6-dicarboxamide
CID 109096371
N-(5-chloro-2-methoxyphenyl)-2-(3-methoxyanilino)pyrimidine-4-carboxamide
CID 109317470

Frequently Asked Questions

What is the IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide (CID 109312912) is N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide is CCCN(CCC)c1nccc(C(=O)Nc2cc(Cl)ccc2OC)n1.
What is the InChIKey of N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide?
The InChIKey is IYCRDJGMYAUELE-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-4-10-23(11-5-2)18-20-9-8-14(22-18)17(24)21-15-12-13(19)6-7-16(15)25-3/h6-9,12H,4-5,10-11H2,1-3H3,(H,21,24).
What are the key properties of N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide?
N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.02, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-(5-chloro-2-methoxyphenyl)-2-(dipropylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109312912), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).