1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea

C11H15FN4O2 — CID 123678225

IUPAC1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C11H15FN4O2/c1-2-13-10(17)14-9-8(12)6-16(11(18)15-9)5-7-3-4-7/h6-7H,2-5H2,1H3,(H2,13,14,15,17,18)
InChIKeyGMJJWJXNTQEKJC-UHFFFAOYSA-N
MW254.26 g/mol
LogP0.93
Rot. Bonds4

About 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea

1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea (PubChem CID 123678225) has the molecular formula C11H15FN4O2 and a molecular weight of 254.26 g/mol. Its IUPAC name is 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea.

Molecular Properties

Compound Name1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea
PubChem CID123678225
Molecular FormulaC11H15FN4O2
Molecular Weight254.26 g/mol
Exact Mass254.12
IUPAC Name1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea
SMILESCCNC(=O)Nc1nc(=O)n(CC2CC2)cc1F
InChIInChI=1S/C11H15FN4O2/c1-2-13-10(17)14-9-8(12)6-16(11(18)15-9)5-7-3-4-7/h6-7H,2-5H2,1H3,(H2,13,14,15,17,18)
InChIKeyGMJJWJXNTQEKJC-UHFFFAOYSA-N
XLogP0.93
TPSA76.02 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.26
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea?
The IUPAC name of 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea (CID 123678225) is 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea.
What is the SMILES notation for 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea?
The canonical SMILES for 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea is CCNC(=O)Nc1nc(=O)n(CC2CC2)cc1F.
What is the InChIKey of 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea?
The InChIKey is GMJJWJXNTQEKJC-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15FN4O2/c1-2-13-10(17)14-9-8(12)6-16(11(18)15-9)5-7-3-4-7/h6-7H,2-5H2,1H3,(H2,13,14,15,17,18).
What are the key properties of 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea?
1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea has a molecular weight of 254.26 g/mol, XLogP of 0.93, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(cyclopropylmethyl)-5-fluoro-2-oxopyrimidin-4-yl]-3-ethylurea is sourced from PubChem (CID 123678225), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).