1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea

C11H16N4O3 — CID 127932177

IUPAC1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)NC2(CO)CCOC2)n1
InChIInChI=1S/C11H16N4O3/c1-8-12-4-2-9(13-8)14-10(17)15-11(6-16)3-5-18-7-11/h2,4,16H,3,5-7H2,1H3,(H2,12,13,14,15,17)
InChIKeyBSVXLSCFXBFDOS-UHFFFAOYSA-N
MW252.27 g/mol
LogP0.06
Rot. Bonds3

About 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea

1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea (PubChem CID 127932177) has the molecular formula C11H16N4O3 and a molecular weight of 252.27 g/mol. Its IUPAC name is 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea
PubChem CID127932177
Molecular FormulaC11H16N4O3
Molecular Weight252.27 g/mol
Exact Mass252.12
IUPAC Name1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)NC2(CO)CCOC2)n1
InChIInChI=1S/C11H16N4O3/c1-8-12-4-2-9(13-8)14-10(17)15-11(6-16)3-5-18-7-11/h2,4,16H,3,5-7H2,1H3,(H2,12,13,14,15,17)
InChIKeyBSVXLSCFXBFDOS-UHFFFAOYSA-N
XLogP0.06
TPSA96.37 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.27
LogP ≤ 50.06
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea?
The IUPAC name of 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea (CID 127932177) is 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea?
The canonical SMILES for 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea is Cc1nccc(NC(=O)NC2(CO)CCOC2)n1.
What is the InChIKey of 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea?
The InChIKey is BSVXLSCFXBFDOS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N4O3/c1-8-12-4-2-9(13-8)14-10(17)15-11(6-16)3-5-18-7-11/h2,4,16H,3,5-7H2,1H3,(H2,12,13,14,15,17).
What are the key properties of 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea?
1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea has a molecular weight of 252.27 g/mol, XLogP of 0.06, 3 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[3-(hydroxymethyl)oxolan-3-yl]-3-(2-methylpyrimidin-4-yl)urea is sourced from PubChem (CID 127932177), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).