2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

C19H26N4O3 — CID 109313029

IUPAC2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C19H26N4O3/c1-5-11-23(12-6-2)18(24)15-9-10-20-19(21-15)22-16-13-14(25-3)7-8-17(16)26-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,21,22)
InChIKeyLLYCNEIENRYRGR-UHFFFAOYSA-N
MW358.44 g/mol
LogP3.50
Rot. Bonds9

About 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313029) has the molecular formula C19H26N4O3 and a molecular weight of 358.44 g/mol. Its IUPAC name is 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313029
Molecular FormulaC19H26N4O3
Molecular Weight358.44 g/mol
Exact Mass358.20
IUPAC Name2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2cc(OC)ccc2OC)n1
InChIInChI=1S/C19H26N4O3/c1-5-11-23(12-6-2)18(24)15-9-10-20-19(21-15)22-16-13-14(25-3)7-8-17(16)26-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,21,22)
InChIKeyLLYCNEIENRYRGR-UHFFFAOYSA-N
XLogP3.50
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.44
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-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

2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
2-(2,5-dimethoxyanilino)-N-methyl-N-(2-pyridin-4-ylethyl)pyrimidine-4-carboxamide
CID 109309086
2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313017
2-(2,5-dimethoxyanilino)-N-prop-2-enylpyrimidine-4-carboxamide
CID 109296243
6-(2,5-dimethoxyanilino)-N,N-dipropylpyridazine-3-carboxamide
CID 109126252
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
2-(2,5-dimethoxyanilino)-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
CID 109306309
N-cyclopropyl-2-(2,5-dimethoxyanilino)pyrimidine-4-carboxamide
CID 109295850
2-(2-fluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313006
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
2-N-(2,5-dimethoxyphenyl)-4-N-propylpyrimidine-2,4-diamine
CID 112881863

Frequently Asked Questions

What is the IUPAC name of 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313029) is 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2cc(OC)ccc2OC)n1.
What is the InChIKey of 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is LLYCNEIENRYRGR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H26N4O3/c1-5-11-23(12-6-2)18(24)15-9-10-20-19(21-15)22-16-13-14(25-3)7-8-17(16)26-4/h7-10,13H,5-6,11-12H2,1-4H3,(H,20,21,22).
What are the key properties of 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 358.44 g/mol, XLogP of 3.50, 9 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313029), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).