4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one

C10H11N3OS — CID 136973753

IUPAC4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCc2cccs2)nc[nH]1
InChIInChI=1S/C10H11N3OS/c14-10-6-9(12-7-13-10)11-4-3-8-2-1-5-15-8/h1-2,5-7H,3-4H2,(H2,11,12,13,14)
InChIKeySIABQUQBDVRWMB-UHFFFAOYSA-N
MW221.29 g/mol
LogP1.49
Rot. Bonds4

About 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one

4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one (PubChem CID 136973753) has the molecular formula C10H11N3OS and a molecular weight of 221.29 g/mol. Its IUPAC name is 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
PubChem CID136973753
Molecular FormulaC10H11N3OS
Molecular Weight221.29 g/mol
Exact Mass221.06
IUPAC Name4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
SMILESO=c1cc(NCCc2cccs2)nc[nH]1
InChIInChI=1S/C10H11N3OS/c14-10-6-9(12-7-13-10)11-4-3-8-2-1-5-15-8/h1-2,5-7H,3-4H2,(H2,11,12,13,14)
InChIKeySIABQUQBDVRWMB-UHFFFAOYSA-N
XLogP1.49
TPSA57.78 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.29
LogP ≤ 51.49
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one 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-cyclopropyl-4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one
CID 137016082
6-N-propyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80778240
6-pyrrolidin-1-yl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 122282355
4-[2-(3,4-dimethoxyphenyl)ethylamino]-1H-pyrimidin-6-one
CID 136955931
4-[(3-methylthiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976380
4-[(3-bromothiophen-2-yl)methylamino]-1H-pyrimidin-6-one
CID 136976446
N-(2-thiophen-2-ylethyl)pyridazin-3-amine
CID 62481413
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
5-iodo-4-(2-thiophen-2-ylethoxy)-1H-pyrimidin-6-one
CID 114676343
N-(2-thiophen-2-ylethyl)-1,3-thiazol-2-amine
CID 29276059
6-(2-thiophen-2-ylethylamino)pyridazine-3-carboxamide
CID 79006069
2-ethyl-6-N-methyl-4-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80934183

Frequently Asked Questions

What is the IUPAC name of 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one (CID 136973753) is 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one is O=c1cc(NCCc2cccs2)nc[nH]1.
What is the InChIKey of 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
The InChIKey is SIABQUQBDVRWMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3OS/c14-10-6-9(12-7-13-10)11-4-3-8-2-1-5-15-8/h1-2,5-7H,3-4H2,(H2,11,12,13,14).
What are the key properties of 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one?
4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one has a molecular weight of 221.29 g/mol, XLogP of 1.49, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-thiophen-2-ylethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136973753), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).