N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

C17H23N5O2 — CID 109252692

IUPACN-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C17H23N5O2/c1-22(2)9-8-18-16(23)14-11-20-17(21-12-14)19-10-13-6-4-5-7-15(13)24-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyLIRUMCWYBMVTKL-UHFFFAOYSA-N
MW329.40 g/mol
LogP1.39
Rot. Bonds8

About N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide

N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (PubChem CID 109252692) has the molecular formula C17H23N5O2 and a molecular weight of 329.40 g/mol. Its IUPAC name is N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
PubChem CID109252692
Molecular FormulaC17H23N5O2
Molecular Weight329.40 g/mol
Exact Mass329.19
IUPAC NameN-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
SMILESCOc1ccccc1CNc1ncc(C(=O)NCCN(C)C)cn1
InChIInChI=1S/C17H23N5O2/c1-22(2)9-8-18-16(23)14-11-20-17(21-12-14)19-10-13-6-4-5-7-15(13)24-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,23)(H,19,20,21)
InChIKeyLIRUMCWYBMVTKL-UHFFFAOYSA-N
XLogP1.39
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500329.40
LogP ≤ 51.39
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-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-methoxyphenyl)methylamino]-N-(2-methylpropyl)pyrimidine-5-carboxamide
CID 109248461
2-[(2-fluorophenyl)methylamino]-N-[2-(2-methoxyphenyl)ethyl]pyrimidine-5-carboxamide
CID 109257016
2-(benzylamino)-N-[2-(dimethylamino)ethyl]pyrimidine-5-carboxamide
CID 109252682
N-butyl-2-[(2-methoxyphenyl)methylamino]-N-methylpyrimidine-5-carboxamide
CID 109257900
2-N-[2-(dimethylamino)ethyl]-4-N-[(2-methoxyphenyl)methyl]pyridine-2,4-dicarboxamide
CID 109083565
N-[2-(dimethylamino)ethyl]-2-(2-methoxyethylamino)pyrimidine-5-carboxamide
CID 109251488
N-[2-(2-methoxyphenyl)ethyl]-2-(prop-2-enylamino)pyrimidine-5-carboxamide
CID 109247890
N-(furan-2-ylmethyl)-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109254883
N-[2-(dimethylamino)ethyl]-2-[2-(4-methoxyphenoxy)ethylamino]pyrimidine-5-carboxamide
CID 109252732
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856
N-[3-(dimethylamino)propyl]-2-[(4-methoxyphenyl)methylamino]pyrimidine-5-carboxamide
CID 109253326
6-[(2-methoxyphenyl)methylamino]-N-propylpyridine-3-carboxamide
CID 109151240

Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The IUPAC name of N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide (CID 109252692) is N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide.
What is the SMILES notation for N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The canonical SMILES for N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is COc1ccccc1CNc1ncc(C(=O)NCCN(C)C)cn1.
What is the InChIKey of N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
The InChIKey is LIRUMCWYBMVTKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H23N5O2/c1-22(2)9-8-18-16(23)14-11-20-17(21-12-14)19-10-13-6-4-5-7-15(13)24-3/h4-7,11-12H,8-10H2,1-3H3,(H,18,23)(H,19,20,21).
What are the key properties of N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide?
N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide has a molecular weight of 329.40 g/mol, XLogP of 1.39, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)ethyl]-2-[(2-methoxyphenyl)methylamino]pyrimidine-5-carboxamide is sourced from PubChem (CID 109252692), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).