5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide

C18H22ClN5O3 — CID 48656544

IUPAC5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2ccc(NC(=O)COC)cc2)n1
InChIInChI=1S/C18H22ClN5O3/c1-4-24(5-2)18-20-10-14(19)16(23-18)17(26)22-13-8-6-12(7-9-13)21-15(25)11-27-3/h6-10H,4-5,11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyGJBHCXOQCROPRJ-UHFFFAOYSA-N
MW391.86 g/mol
LogP2.81
Rot. Bonds8

About 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide

5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide (PubChem CID 48656544) has the molecular formula C18H22ClN5O3 and a molecular weight of 391.86 g/mol. Its IUPAC name is 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide
PubChem CID48656544
Molecular FormulaC18H22ClN5O3
Molecular Weight391.86 g/mol
Exact Mass391.14
IUPAC Name5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide
SMILESCCN(CC)c1ncc(Cl)c(C(=O)Nc2ccc(NC(=O)COC)cc2)n1
InChIInChI=1S/C18H22ClN5O3/c1-4-24(5-2)18-20-10-14(19)16(23-18)17(26)22-13-8-6-12(7-9-13)21-15(25)11-27-3/h6-10H,4-5,11H2,1-3H3,(H,21,25)(H,22,26)
InChIKeyGJBHCXOQCROPRJ-UHFFFAOYSA-N
XLogP2.81
TPSA96.45 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.86
LogP ≤ 52.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-chloro-2-(diethylamino)-N-(6-morpholin-4-yl-3-pyridinyl)pyrimidine-4-carboxamide
CID 48655504
5-chloro-N-(5-chloro-2-hydroxyphenyl)-2-(diethylamino)pyrimidine-4-carboxamide
CID 48692385
5-chloro-2-(diethylamino)-N-[3-(morpholine-4-carbonyl)phenyl]pyrimidine-4-carboxamide
CID 48659953
4-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-1-methylpyrazole-5-carboxamide
CID 131940972
5-chloro-2-ethylsulfonyl-N-(4-methoxyphenyl)pyrimidine-4-carboxamide
CID 2988172
1-ethyl-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrazole-3-carboxamide
CID 131908281
2-(diethylamino)-N-(4-propan-2-ylphenyl)pyrimidine-4-carboxamide
CID 109310729
[2-[4-[(2-methoxyacetyl)amino]anilino]-2-oxoethyl] methyl hydrogen phosphate
CID 170392422
N-[4-[(2-methoxyacetyl)amino]phenyl]-4-methylpyrimidine-5-carboxamide
CID 131904571
5-chloro-2-ethylsulfonyl-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 2990902
2-chloro-N-[4-[(2-methoxyacetyl)amino]phenyl]-5-nitrobenzamide
CID 46568580
5-chloro-2-(diethylamino)-N-[[4-[(4-hydroxypiperidin-1-yl)methyl]phenyl]methyl]pyrimidine-4-carboxamide
CID 56552218

Frequently Asked Questions

What is the IUPAC name of 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide?
The IUPAC name of 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide (CID 48656544) is 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide?
The canonical SMILES for 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide is CCN(CC)c1ncc(Cl)c(C(=O)Nc2ccc(NC(=O)COC)cc2)n1.
What is the InChIKey of 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide?
The InChIKey is GJBHCXOQCROPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22ClN5O3/c1-4-24(5-2)18-20-10-14(19)16(23-18)17(26)22-13-8-6-12(7-9-13)21-15(25)11-27-3/h6-10H,4-5,11H2,1-3H3,(H,21,25)(H,22,26).
What are the key properties of 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide?
5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide has a molecular weight of 391.86 g/mol, XLogP of 2.81, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-2-(diethylamino)-N-[4-[(2-methoxyacetyl)amino]phenyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 48656544), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).