N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide

C21H32N6O — CID 109325003

IUPACN-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)nc(NCCN(C)C)n2)c(C)c1
InChIInChI=1S/C21H32N6O/c1-7-27(8-2)17-9-10-18(15(3)13-17)24-20(28)19-14-16(4)23-21(25-19)22-11-12-26(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3,(H,24,28)(H,22,23,25)
InChIKeyYDSSNHUJRGNOMH-UHFFFAOYSA-N
MW384.53 g/mol
LogP3.17
Rot. Bonds9

About N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide

N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide (PubChem CID 109325003) has the molecular formula C21H32N6O and a molecular weight of 384.53 g/mol. Its IUPAC name is N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
PubChem CID109325003
Molecular FormulaC21H32N6O
Molecular Weight384.53 g/mol
Exact Mass384.26
IUPAC NameN-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
SMILESCCN(CC)c1ccc(NC(=O)c2cc(C)nc(NCCN(C)C)n2)c(C)c1
InChIInChI=1S/C21H32N6O/c1-7-27(8-2)17-9-10-18(15(3)13-17)24-20(28)19-14-16(4)23-21(25-19)22-11-12-26(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3,(H,24,28)(H,22,23,25)
InChIKeyYDSSNHUJRGNOMH-UHFFFAOYSA-N
XLogP3.17
TPSA73.39 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500384.53
LogP ≤ 53.17
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

Analyze N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-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

N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319048
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]pyrimidine-4-carboxamide
CID 109301218
N-[4-(diethylamino)-2-methylphenyl]-6-methyl-2-(oxolan-2-ylmethylamino)pyrimidine-4-carboxamide
CID 109324675
2-(cyclohexylamino)-N-[4-(diethylamino)-2-methylphenyl]-6-methylpyrimidine-4-carboxamide
CID 109322767
N-[4-(diethylamino)phenyl]-6-methyl-2-(propylamino)pyrimidine-4-carboxamide
CID 109319014
N-(2,4-dimethoxyphenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324958
2-[2-(dimethylamino)ethylamino]-N-(2-methoxyphenyl)-6-methylpyrimidine-4-carboxamide
CID 109324949
2-[3-(dimethylamino)propylamino]-N-(2,5-dimethylphenyl)-6-methylpyrimidine-4-carboxamide
CID 109325473
N-[4-(diethylamino)-2-methylphenyl]-2-(3-methylbutylamino)pyrimidine-4-carboxamide
CID 109311841
N-cyclopentyl-2-[4-(diethylamino)-2-methylanilino]-6-methylpyrimidine-4-carboxamide
CID 109322269
N-(3-chlorophenyl)-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide
CID 109324937
6-(butylamino)-N-[4-(diethylamino)-2-methylphenyl]-2-methylpyrimidine-4-carboxamide
CID 109361727

Frequently Asked Questions

What is the IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide?
The IUPAC name of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide (CID 109325003) is N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide.
What is the SMILES notation for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide?
The canonical SMILES for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide is CCN(CC)c1ccc(NC(=O)c2cc(C)nc(NCCN(C)C)n2)c(C)c1.
What is the InChIKey of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide?
The InChIKey is YDSSNHUJRGNOMH-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H32N6O/c1-7-27(8-2)17-9-10-18(15(3)13-17)24-20(28)19-14-16(4)23-21(25-19)22-11-12-26(5)6/h9-10,13-14H,7-8,11-12H2,1-6H3,(H,24,28)(H,22,23,25).
What are the key properties of N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide?
N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide has a molecular weight of 384.53 g/mol, XLogP of 3.17, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(diethylamino)-2-methylphenyl]-2-[2-(dimethylamino)ethylamino]-6-methylpyrimidine-4-carboxamide is sourced from PubChem (CID 109325003), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).