2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

C18H23ClN4O2 — CID 109313017

IUPAC2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C18H23ClN4O2/c1-4-10-23(11-5-2)17(24)15-8-9-20-18(22-15)21-13-6-7-16(25-3)14(19)12-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyDSERHRFWTZHDDY-UHFFFAOYSA-N
MW362.86 g/mol
LogP4.14
Rot. Bonds8

About 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide

2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (PubChem CID 109313017) has the molecular formula C18H23ClN4O2 and a molecular weight of 362.86 g/mol. Its IUPAC name is 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
PubChem CID109313017
Molecular FormulaC18H23ClN4O2
Molecular Weight362.86 g/mol
Exact Mass362.15
IUPAC Name2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
SMILESCCCN(CCC)C(=O)c1ccnc(Nc2ccc(OC)c(Cl)c2)n1
InChIInChI=1S/C18H23ClN4O2/c1-4-10-23(11-5-2)17(24)15-8-9-20-18(22-15)21-13-6-7-16(25-3)14(19)12-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22)
InChIKeyDSERHRFWTZHDDY-UHFFFAOYSA-N
XLogP4.14
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 ≤ 54.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze 2-(3-chloro-4-methoxyanilino)-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-(3-chloro-4-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313014
2-(2,5-dimethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313029
2-(2-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313021
2-(3-chloro-4-fluoroanilino)-N,N-diethylpyrimidine-4-carboxamide
CID 109310867
4-(3,4-dimethoxyanilino)-N,N-dipropylpyridine-2-carboxamide
CID 109218350
2-(3-chloro-4-methoxyanilino)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109304121
2-(4-chloro-2-methylanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313013
N,N-dipropyl-2-(2,4,6-trimethylanilino)pyrimidine-4-carboxamide
CID 109313001
2-(3,4-dichloroanilino)-N-propylpyrimidine-4-carboxamide
CID 109295101
2-(2-ethoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313024
N,N-diethyl-2-(2-methoxy-5-methylanilino)pyrimidine-4-carboxamide
CID 109310878
2-(2,6-difluoroanilino)-N,N-dipropylpyrimidine-4-carboxamide
CID 109313081

Frequently Asked Questions

What is the IUPAC name of 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The IUPAC name of 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide (CID 109313017) is 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide.
What is the SMILES notation for 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The canonical SMILES for 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is CCCN(CCC)C(=O)c1ccnc(Nc2ccc(OC)c(Cl)c2)n1.
What is the InChIKey of 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
The InChIKey is DSERHRFWTZHDDY-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H23ClN4O2/c1-4-10-23(11-5-2)17(24)15-8-9-20-18(22-15)21-13-6-7-16(25-3)14(19)12-13/h6-9,12H,4-5,10-11H2,1-3H3,(H,20,21,22).
What are the key properties of 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide?
2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide has a molecular weight of 362.86 g/mol, XLogP of 4.14, 8 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3-chloro-4-methoxyanilino)-N,N-dipropylpyrimidine-4-carboxamide is sourced from PubChem (CID 109313017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).