1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea

C12H12N4OS — CID 99833511

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea
SMILESO=C(Nc1cnc(C2CC2)nc1)Nc1ccsc1
InChIInChI=1S/C12H12N4OS/c17-12(15-9-3-4-18-7-9)16-10-5-13-11(14-6-10)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17)
InChIKeyJDEPSEKALPHMSL-UHFFFAOYSA-N
MW260.32 g/mol
LogP3.06
Rot. Bonds3

About 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea

1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea (PubChem CID 99833511) has the molecular formula C12H12N4OS and a molecular weight of 260.32 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea
PubChem CID99833511
Molecular FormulaC12H12N4OS
Molecular Weight260.32 g/mol
Exact Mass260.07
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea
SMILESO=C(Nc1cnc(C2CC2)nc1)Nc1ccsc1
InChIInChI=1S/C12H12N4OS/c17-12(15-9-3-4-18-7-9)16-10-5-13-11(14-6-10)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17)
InChIKeyJDEPSEKALPHMSL-UHFFFAOYSA-N
XLogP3.06
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.32
LogP ≤ 53.06
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea (CID 99833511) is 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea is O=C(Nc1cnc(C2CC2)nc1)Nc1ccsc1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea?
The InChIKey is JDEPSEKALPHMSL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4OS/c17-12(15-9-3-4-18-7-9)16-10-5-13-11(14-6-10)8-1-2-8/h3-8H,1-2H2,(H2,15,16,17).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea?
1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea has a molecular weight of 260.32 g/mol, XLogP of 3.06, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-thiophen-3-ylurea is sourced from PubChem (CID 99833511), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).