2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide

C18H25N5O — CID 109253558

IUPAC2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(NCCCN(C)C)nc1
InChIInChI=1S/C18H25N5O/c1-4-14-8-5-6-9-16(14)22-17(24)15-12-20-18(21-13-15)19-10-7-11-23(2)3/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyOAQMHJYLUMOOPB-UHFFFAOYSA-N
MW327.43 g/mol
LogP2.65
Rot. Bonds8

About 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide

2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide (PubChem CID 109253558) has the molecular formula C18H25N5O and a molecular weight of 327.43 g/mol. Its IUPAC name is 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
PubChem CID109253558
Molecular FormulaC18H25N5O
Molecular Weight327.43 g/mol
Exact Mass327.21
IUPAC Name2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide
SMILESCCc1ccccc1NC(=O)c1cnc(NCCCN(C)C)nc1
InChIInChI=1S/C18H25N5O/c1-4-14-8-5-6-9-16(14)22-17(24)15-12-20-18(21-13-15)19-10-7-11-23(2)3/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,22,24)(H,19,20,21)
InChIKeyOAQMHJYLUMOOPB-UHFFFAOYSA-N
XLogP2.65
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.43
LogP ≤ 52.65
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

N-(2-chlorophenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253571
N-(2-ethylphenyl)-2-(2-phenylethylamino)pyrimidine-5-carboxamide
CID 109259548
1-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)benzene-1,4-dicarboxamide
CID 109046007
2-[3-(dimethylamino)propylamino]-N-(2,4-dimethylphenyl)pyrimidine-5-carboxamide
CID 109253552
2-N-[3-(dimethylamino)propyl]-4-N-(2-ethylphenyl)pyridine-2,4-dicarboxamide
CID 109084067
2-[3-(dimethylamino)propylamino]-N-propylpyrimidine-5-carboxamide
CID 109246483
N-(4-acetylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253599
N-(4-tert-butylphenyl)-2-[3-(dimethylamino)propylamino]pyrimidine-5-carboxamide
CID 109253568
2-[2-(dimethylamino)ethylamino]-N-(2-propan-2-ylphenyl)pyrimidine-5-carboxamide
CID 109252945
2-[3-(dimethylamino)propylamino]-N-(2-methoxy-5-methylphenyl)pyrimidine-5-carboxamide
CID 109253589
6-(butylamino)-N-(2-ethylphenyl)pyridine-3-carboxamide
CID 109151611
2-[2-(dimethylamino)ethylamino]-N-[3-(dimethylamino)propyl]pyrimidine-5-carboxamide
CID 109252856

Frequently Asked Questions

What is the IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide (CID 109253558) is 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide is CCc1ccccc1NC(=O)c1cnc(NCCCN(C)C)nc1.
What is the InChIKey of 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
The InChIKey is OAQMHJYLUMOOPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H25N5O/c1-4-14-8-5-6-9-16(14)22-17(24)15-12-20-18(21-13-15)19-10-7-11-23(2)3/h5-6,8-9,12-13H,4,7,10-11H2,1-3H3,(H,22,24)(H,19,20,21).
What are the key properties of 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide?
2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide has a molecular weight of 327.43 g/mol, XLogP of 2.65, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[3-(dimethylamino)propylamino]-N-(2-ethylphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 109253558), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).