1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea

C14H16N4O2 — CID 138028283

IUPAC1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)N(Cc2ccoc2)C2CC2)n1
InChIInChI=1S/C14H16N4O2/c1-10-15-6-4-13(16-10)17-14(19)18(12-2-3-12)8-11-5-7-20-9-11/h4-7,9,12H,2-3,8H2,1H3,(H,15,16,17,19)
InChIKeyFEBASSBYHIFHFN-UHFFFAOYSA-N
MW272.31 g/mol
LogP2.57
Rot. Bonds4

About 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea

1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea (PubChem CID 138028283) has the molecular formula C14H16N4O2 and a molecular weight of 272.31 g/mol. Its IUPAC name is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea.

Molecular Properties

Compound Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea
PubChem CID138028283
Molecular FormulaC14H16N4O2
Molecular Weight272.31 g/mol
Exact Mass272.13
IUPAC Name1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea
SMILESCc1nccc(NC(=O)N(Cc2ccoc2)C2CC2)n1
InChIInChI=1S/C14H16N4O2/c1-10-15-6-4-13(16-10)17-14(19)18(12-2-3-12)8-11-5-7-20-9-11/h4-7,9,12H,2-3,8H2,1H3,(H,15,16,17,19)
InChIKeyFEBASSBYHIFHFN-UHFFFAOYSA-N
XLogP2.57
TPSA71.26 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.31
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea?
The IUPAC name of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea (CID 138028283) is 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea.
What is the SMILES notation for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea?
The canonical SMILES for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea is Cc1nccc(NC(=O)N(Cc2ccoc2)C2CC2)n1.
What is the InChIKey of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea?
The InChIKey is FEBASSBYHIFHFN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N4O2/c1-10-15-6-4-13(16-10)17-14(19)18(12-2-3-12)8-11-5-7-20-9-11/h4-7,9,12H,2-3,8H2,1H3,(H,15,16,17,19).
What are the key properties of 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea?
1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea has a molecular weight of 272.31 g/mol, XLogP of 2.57, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-cyclopropyl-1-(furan-3-ylmethyl)-3-(2-methylpyrimidin-4-yl)urea is sourced from PubChem (CID 138028283), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).