N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide

C16H20N4O — CID 109338344

IUPACN-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(CC)cc2)ncn1
InChIInChI=1S/C16H20N4O/c1-3-9-17-15-10-14(18-11-19-15)16(21)20-13-7-5-12(4-2)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyREKPXAUOIDOHEL-UHFFFAOYSA-N
MW284.36 g/mol
LogP3.11
Rot. Bonds6

About N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide

N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide (PubChem CID 109338344) has the molecular formula C16H20N4O and a molecular weight of 284.36 g/mol. Its IUPAC name is N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
PubChem CID109338344
Molecular FormulaC16H20N4O
Molecular Weight284.36 g/mol
Exact Mass284.16
IUPAC NameN-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide
SMILESCCCNc1cc(C(=O)Nc2ccc(CC)cc2)ncn1
InChIInChI=1S/C16H20N4O/c1-3-9-17-15-10-14(18-11-19-15)16(21)20-13-7-5-12(4-2)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)(H,17,18,19)
InChIKeyREKPXAUOIDOHEL-UHFFFAOYSA-N
XLogP3.11
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500284.36
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze N-(4-ethylphenyl)-6-(propylamino)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

N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
6-(4-ethylanilino)-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109356279
6-(butylamino)-N-(4-tert-butylphenyl)pyrimidine-4-carboxamide
CID 109339917
6-(4-ethylanilino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 109357328
ethyl 4-[[6-(butylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109339975
6-[2-(4-chlorophenyl)ethylamino]-N-(4-methylphenyl)pyrimidine-4-carboxamide
CID 109352342
6-(ethylamino)-N-(4-fluorophenyl)pyrimidine-4-carboxamide
CID 46179338
6-(butylamino)-N-(4-propan-2-yloxyphenyl)pyrimidine-4-carboxamide
CID 109339940
6-(2,4-difluoroanilino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357398
N-tert-butyl-6-(propylamino)pyrimidine-4-carboxamide
CID 109338316
6-(2,3-dihydro-1,4-benzodioxin-6-ylamino)-N-(4-ethylphenyl)pyrimidine-4-carboxamide
CID 109357395
6-(pentylamino)-N-(4-phenoxyphenyl)pyrimidine-4-carboxamide
CID 109354484

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
The IUPAC name of N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide (CID 109338344) is N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide.
What is the SMILES notation for N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
The canonical SMILES for N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide is CCCNc1cc(C(=O)Nc2ccc(CC)cc2)ncn1.
What is the InChIKey of N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
The InChIKey is REKPXAUOIDOHEL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N4O/c1-3-9-17-15-10-14(18-11-19-15)16(21)20-13-7-5-12(4-2)6-8-13/h5-8,10-11H,3-4,9H2,1-2H3,(H,20,21)(H,17,18,19).
What are the key properties of N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide?
N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide has a molecular weight of 284.36 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-6-(propylamino)pyrimidine-4-carboxamide is sourced from PubChem (CID 109338344), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).