1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea

C14H16N4OS — CID 19703760

IUPAC1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea
SMILESCOc1ccccc1CCNC(=S)Nc1ccncn1
InChIInChI=1S/C14H16N4OS/c1-19-12-5-3-2-4-11(12)6-9-16-14(20)18-13-7-8-15-10-17-13/h2-5,7-8,10H,6,9H2,1H3,(H2,15,16,17,18,20)
InChIKeyYLZUVPHCGGWLRJ-UHFFFAOYSA-N
MW288.38 g/mol
LogP2.01
Rot. Bonds5

About 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea

1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea (PubChem CID 19703760) has the molecular formula C14H16N4OS and a molecular weight of 288.38 g/mol. Its IUPAC name is 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea.

Molecular Properties

Compound Name1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea
PubChem CID19703760
Molecular FormulaC14H16N4OS
Molecular Weight288.38 g/mol
Exact Mass288.10
IUPAC Name1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea
SMILESCOc1ccccc1CCNC(=S)Nc1ccncn1
InChIInChI=1S/C14H16N4OS/c1-19-12-5-3-2-4-11(12)6-9-16-14(20)18-13-7-8-15-10-17-13/h2-5,7-8,10H,6,9H2,1H3,(H2,15,16,17,18,20)
InChIKeyYLZUVPHCGGWLRJ-UHFFFAOYSA-N
XLogP2.01
TPSA59.07 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.38
LogP ≤ 52.01
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

Analyze 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea 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

1-(3,5-dimethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 17298438
1-(4-ethoxyphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8658273
1-(3-acetylphenyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 970948
1-[2-(2-methoxyphenyl)ethyl]-3-(3-nitrophenyl)thiourea
CID 19649684
1-[2-(2-methoxyphenyl)ethyl]-3-(2-methylpropyl)thiourea
CID 19649703
1-cyclohexyl-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 8726213
1-(1-hydroxy-2,2-dimethylpropyl)-3-[2-(2-methoxyphenyl)ethyl]thiourea
CID 22639980
6-[2-(2-methoxyphenyl)ethylamino]-N-(pyridin-4-ylmethyl)pyrimidine-4-carboxamide
CID 109350279
N'-(2-methoxyethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 44996618
N'-(2-amino-2-sulfanylideneethyl)-N-[2-(2-methoxyphenyl)ethyl]oxamide
CID 106261293
1-[2-(2-methoxyphenyl)ethyl]-3-(1,2-oxazol-3-yl)urea
CID 108812054
1-(4-chlorophenyl)-3-[3-(2-methoxyphenyl)propyl]thiourea
CID 100674620

Frequently Asked Questions

What is the IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea?
The IUPAC name of 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea (CID 19703760) is 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea.
What is the SMILES notation for 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea?
The canonical SMILES for 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea is COc1ccccc1CCNC(=S)Nc1ccncn1.
What is the InChIKey of 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea?
The InChIKey is YLZUVPHCGGWLRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4OS/c1-19-12-5-3-2-4-11(12)6-9-16-14(20)18-13-7-8-15-10-17-13/h2-5,7-8,10H,6,9H2,1H3,(H2,15,16,17,18,20).
What are the key properties of 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea?
1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea has a molecular weight of 288.38 g/mol, XLogP of 2.01, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[2-(2-methoxyphenyl)ethyl]-3-pyrimidin-4-ylthiourea is sourced from PubChem (CID 19703760), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).