6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

C22H24N4O3 — CID 109348949

IUPAC6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCc3ccccc3OC)ncn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-8-5-6-16(12-18)10-11-23-21-13-19(25-15-26-21)22(27)24-14-17-7-3-4-9-20(17)29-2/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDMIKLXBJJHOKMV-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.08
Rot. Bonds9

About 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide

6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (PubChem CID 109348949) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.

Molecular Properties

Compound Name6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
PubChem CID109348949
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide
SMILESCOc1cccc(CCNc2cc(C(=O)NCc3ccccc3OC)ncn2)c1
InChIInChI=1S/C22H24N4O3/c1-28-18-8-5-6-16(12-18)10-11-23-21-13-19(25-15-26-21)22(27)24-14-17-7-3-4-9-20(17)29-2/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,27)(H,23,25,26)
InChIKeyDMIKLXBJJHOKMV-UHFFFAOYSA-N
XLogP3.08
TPSA85.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]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

6-[2-(2-fluorophenyl)ethylamino]-N-[2-(3-methoxyphenyl)ethyl]pyrimidine-4-carboxamide
CID 109350844
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylpropyl)pyrimidine-4-carboxamide
CID 109340422
N-[2-(3-chlorophenyl)ethyl]-6-[(2-methoxyphenyl)methylamino]pyrimidine-4-carboxamide
CID 109348867
6-[2-(3-methoxyphenyl)ethylamino]-N-(3-methylbutyl)pyrimidine-4-carboxamide
CID 109351294
6-[2-(3-methoxyphenyl)ethylamino]-N-pentylpyrimidine-4-carboxamide
CID 109351295
6-[2-(3-methoxyphenyl)ethylamino]-N-phenylpyrimidine-4-carboxamide
CID 109351301
N-benzyl-6-[2-(3,4-dimethoxyphenyl)ethylamino]pyrimidine-4-carboxamide
CID 109346649
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
N-[2-(3-methoxyphenyl)ethyl]-6-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109351358
N-[2-(3-methoxyphenyl)ethyl]-5-[(2-methoxyphenyl)methylamino]pyrazine-2-carboxamide
CID 109282289
6-[2-(3-methoxyphenyl)ethylamino]-N-(2-methylphenyl)pyrimidine-4-carboxamide
CID 109351302
N-[(3,4-dimethoxyphenyl)methyl]-6-(2-phenylethylamino)pyrimidine-4-carboxamide
CID 109350430

Frequently Asked Questions

What is the IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The IUPAC name of 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide (CID 109348949) is 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide.
What is the SMILES notation for 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The canonical SMILES for 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is COc1cccc(CCNc2cc(C(=O)NCc3ccccc3OC)ncn2)c1.
What is the InChIKey of 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
The InChIKey is DMIKLXBJJHOKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-28-18-8-5-6-16(12-18)10-11-23-21-13-19(25-15-26-21)22(27)24-14-17-7-3-4-9-20(17)29-2/h3-9,12-13,15H,10-11,14H2,1-2H3,(H,24,27)(H,23,25,26).
What are the key properties of 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide?
6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide has a molecular weight of 392.46 g/mol, XLogP of 3.08, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(3-methoxyphenyl)ethylamino]-N-[(2-methoxyphenyl)methyl]pyrimidine-4-carboxamide is sourced from PubChem (CID 109348949), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).