1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

C15H18N4O2S — CID 111443293

IUPAC1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1cnc(C2CC2)nc1)c1cccs1
InChIInChI=1S/C15H18N4O2S/c1-15(21,12-3-2-6-22-12)9-18-14(20)19-11-7-16-13(17-8-11)10-4-5-10/h2-3,6-8,10,21H,4-5,9H2,1H3,(H2,18,19,20)
InChIKeyCNDVHMWBQLHGHD-UHFFFAOYSA-N
MW318.40 g/mol
LogP2.44
Rot. Bonds5

About 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea

1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (PubChem CID 111443293) has the molecular formula C15H18N4O2S and a molecular weight of 318.40 g/mol. Its IUPAC name is 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.

Molecular Properties

Compound Name1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
PubChem CID111443293
Molecular FormulaC15H18N4O2S
Molecular Weight318.40 g/mol
Exact Mass318.12
IUPAC Name1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
SMILESCC(O)(CNC(=O)Nc1cnc(C2CC2)nc1)c1cccs1
InChIInChI=1S/C15H18N4O2S/c1-15(21,12-3-2-6-22-12)9-18-14(20)19-11-7-16-13(17-8-11)10-4-5-10/h2-3,6-8,10,21H,4-5,9H2,1H3,(H2,18,19,20)
InChIKeyCNDVHMWBQLHGHD-UHFFFAOYSA-N
XLogP2.44
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.40
LogP ≤ 52.44
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

1-cyclohexyl-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95983514
1-(2-cyclopropylpyrimidin-5-yl)-3-[2-(2,5-dimethylfuran-3-yl)-2-hydroxypropyl]urea
CID 111474644
1-(2-hydroxy-2-thiophen-2-ylpropyl)-3-naphthalen-2-ylurea
CID 111442867
1-[1-(2,2-difluoroethyl)pyrazol-4-yl]-3-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]urea
CID 95899266
1-(dicyclopropylmethyl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111440963
N-(2-hydroxy-2-thiophen-2-ylpropyl)-2,2-dimethylpropanamide
CID 71782337
1-[2-(dimethylamino)-2-methylpropyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111443503
N-(2-hydroxy-2-thiophen-2-ylpropyl)-4-methylcyclohexane-1-carboxamide
CID 111478212
methyl N-(2-hydroxy-2-thiophen-2-ylpropyl)carbamate
CID 90499737
N'-(4-fluorophenyl)-N-(2-hydroxy-2-thiophen-2-ylpropyl)oxamide
CID 90499889
1-[(2S)-2-hydroxy-2-thiophen-2-ylpropyl]-3-[(1R)-4-methoxy-2,3-dihydro-1H-inden-1-yl]urea
CID 97087378
1-[2-(difluoromethoxy)phenyl]-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea
CID 111442981

Frequently Asked Questions

What is the IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The IUPAC name of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea (CID 111443293) is 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea.
What is the SMILES notation for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The canonical SMILES for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is CC(O)(CNC(=O)Nc1cnc(C2CC2)nc1)c1cccs1.
What is the InChIKey of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
The InChIKey is CNDVHMWBQLHGHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4O2S/c1-15(21,12-3-2-6-22-12)9-18-14(20)19-11-7-16-13(17-8-11)10-4-5-10/h2-3,6-8,10,21H,4-5,9H2,1H3,(H2,18,19,20).
What are the key properties of 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea?
1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea has a molecular weight of 318.40 g/mol, XLogP of 2.44, 5 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-cyclopropylpyrimidin-5-yl)-3-(2-hydroxy-2-thiophen-2-ylpropyl)urea is sourced from PubChem (CID 111443293), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).