1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone

C18H18N4OS — CID 118559411

IUPAC1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1sccc1-c1cc(NCCc2ccccc2)nc(N)n1
InChIInChI=1S/C18H18N4OS/c1-12(23)17-14(8-10-24-17)15-11-16(22-18(19)21-15)20-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H3,19,20,21,22)
InChIKeyWOYZQVRBRLGKOO-UHFFFAOYSA-N
MW338.44 g/mol
LogP3.64
Rot. Bonds6

About 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone

1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone (PubChem CID 118559411) has the molecular formula C18H18N4OS and a molecular weight of 338.44 g/mol. Its IUPAC name is 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone.

Molecular Properties

Compound Name1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone
PubChem CID118559411
Molecular FormulaC18H18N4OS
Molecular Weight338.44 g/mol
Exact Mass338.12
IUPAC Name1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone
SMILESCC(=O)c1sccc1-c1cc(NCCc2ccccc2)nc(N)n1
InChIInChI=1S/C18H18N4OS/c1-12(23)17-14(8-10-24-17)15-11-16(22-18(19)21-15)20-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H3,19,20,21,22)
InChIKeyWOYZQVRBRLGKOO-UHFFFAOYSA-N
XLogP3.64
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500338.44
LogP ≤ 53.64
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone 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-N-methyl-4-N-(2-phenylethyl)pyrimidine-2,4,6-triamine
CID 80777642
4-[2-[[2-amino-6-(1-benzothiophen-3-yl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117091764
4-N-[2-(4-aminophenyl)ethyl]-6-phenylpyrimidine-2,4-diamine
CID 144972199
4-N-benzyl-6-thiophen-2-ylpyrimidine-2,4-diamine
CID 117079807
3-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]benzamide
CID 118559286
4-[2-[[2-amino-6-(4-methoxyphenyl)pyrimidin-4-yl]amino]ethyl]phenol
CID 117082432
6-N-methyl-4-N-(3-phenylpropyl)pyrimidine-2,4,6-triamine
CID 80791770
5-acetyl-2-(2-phenylethylamino)-1,3-thiazole-4-carboxylic acid
CID 106696786
4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]-N,N-dimethylbenzenesulfinamide
CID 118568219
3-amino-N-(2-phenylethyl)-1H-1,2,4-triazole-5-carboxamide
CID 62807337
N-[amino-[4-[2-[[2-amino-6-(3-chloro-2-methylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methyl]hydroxylamine
CID 118567910
N-[4-[2-[[2-amino-6-(2,3-dimethylphenyl)pyrimidin-4-yl]amino]ethyl]phenyl]methanesulfonamide
CID 118559488

Frequently Asked Questions

What is the IUPAC name of 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone?
The IUPAC name of 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone (CID 118559411) is 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone.
What is the SMILES notation for 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone?
The canonical SMILES for 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone is CC(=O)c1sccc1-c1cc(NCCc2ccccc2)nc(N)n1.
What is the InChIKey of 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone?
The InChIKey is WOYZQVRBRLGKOO-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H18N4OS/c1-12(23)17-14(8-10-24-17)15-11-16(22-18(19)21-15)20-9-7-13-5-3-2-4-6-13/h2-6,8,10-11H,7,9H2,1H3,(H3,19,20,21,22).
What are the key properties of 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone?
1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone has a molecular weight of 338.44 g/mol, XLogP of 3.64, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-[2-amino-6-(2-phenylethylamino)pyrimidin-4-yl]thiophen-2-yl]ethanone is sourced from PubChem (CID 118559411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).