1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea

C11H12N4OS — CID 99840557

IUPAC1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccncn1)c1cccs1
InChIInChI=1S/C11H12N4OS/c1-8(9-3-2-6-17-9)14-11(16)15-10-4-5-12-7-13-10/h2-8H,1H3,(H2,12,13,14,15,16)/t8-/m1/s1
InChIKeyLVFHVKOCFQDSMT-MRVPVSSYSA-N
MW248.31 g/mol
LogP2.42
Rot. Bonds3

About 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea

1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea (PubChem CID 99840557) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea.

Molecular Properties

Compound Name1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea
PubChem CID99840557
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea
SMILESC[C@@H](NC(=O)Nc1ccncn1)c1cccs1
InChIInChI=1S/C11H12N4OS/c1-8(9-3-2-6-17-9)14-11(16)15-10-4-5-12-7-13-10/h2-8H,1H3,(H2,12,13,14,15,16)/t8-/m1/s1
InChIKeyLVFHVKOCFQDSMT-MRVPVSSYSA-N
XLogP2.42
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea 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-phenyl-3-[(1R)-1-thiophen-2-ylethyl]urea
CID 1158599
1-phenyl-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 1158597
1-(3-fluoro-2-pyridinyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 99840259
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]thiophene-3-carboxylic acid
CID 81409009
N-[(1R)-1-thiophen-2-ylethyl]prop-2-enamide
CID 81408740
1-(3-ethylphenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133131
2-[[(1R)-1-thiophen-2-ylethyl]carbamoylamino]propanediamide
CID 36974814
(1S)-N-(pyrimidin-4-ylmethyl)-1-thiophen-2-ylethanamine
CID 81399207
(2S)-3-methyl-2-(1-thiophen-2-ylethylcarbamoylamino)butanoic acid
CID 61199612
2-bromo-5-(1-thiophen-2-ylethylcarbamoylamino)benzoic acid
CID 115296717
1-(5-chloro-2,4-dimethoxyphenyl)-3-[(1S)-1-thiophen-2-ylethyl]urea
CID 29023179
1-(3-chloro-2-fluorophenyl)-3-(1-thiophen-2-ylethyl)urea
CID 47133061

Frequently Asked Questions

What is the IUPAC name of 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea?
The IUPAC name of 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea (CID 99840557) is 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea.
What is the SMILES notation for 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea?
The canonical SMILES for 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea is C[C@@H](NC(=O)Nc1ccncn1)c1cccs1.
What is the InChIKey of 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea?
The InChIKey is LVFHVKOCFQDSMT-MRVPVSSYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-8(9-3-2-6-17-9)14-11(16)15-10-4-5-12-7-13-10/h2-8H,1H3,(H2,12,13,14,15,16)/t8-/m1/s1.
What are the key properties of 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea?
1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea has a molecular weight of 248.31 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-pyrimidin-4-yl-3-[(1R)-1-thiophen-2-ylethyl]urea is sourced from PubChem (CID 99840557), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).