1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea

C14H13FN4O — CID 110490668

IUPAC1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea
SMILESO=C(Nc1ccncn1)NC1(c2ccccc2F)CC1
InChIInChI=1S/C14H13FN4O/c15-11-4-2-1-3-10(11)14(6-7-14)19-13(20)18-12-5-8-16-9-17-12/h1-5,8-9H,6-7H2,(H2,16,17,18,19,20)
InChIKeyBBVNCCGWLYQIGE-UHFFFAOYSA-N
MW272.28 g/mol
LogP2.43
Rot. Bonds3

About 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea

1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea (PubChem CID 110490668) has the molecular formula C14H13FN4O and a molecular weight of 272.28 g/mol. Its IUPAC name is 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea.

Molecular Properties

Compound Name1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea
PubChem CID110490668
Molecular FormulaC14H13FN4O
Molecular Weight272.28 g/mol
Exact Mass272.11
IUPAC Name1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea
SMILESO=C(Nc1ccncn1)NC1(c2ccccc2F)CC1
InChIInChI=1S/C14H13FN4O/c15-11-4-2-1-3-10(11)14(6-7-14)19-13(20)18-12-5-8-16-9-17-12/h1-5,8-9H,6-7H2,(H2,16,17,18,19,20)
InChIKeyBBVNCCGWLYQIGE-UHFFFAOYSA-N
XLogP2.43
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500272.28
LogP ≤ 52.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea?
The IUPAC name of 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea (CID 110490668) is 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea.
What is the SMILES notation for 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea?
The canonical SMILES for 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea is O=C(Nc1ccncn1)NC1(c2ccccc2F)CC1.
What is the InChIKey of 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea?
The InChIKey is BBVNCCGWLYQIGE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13FN4O/c15-11-4-2-1-3-10(11)14(6-7-14)19-13(20)18-12-5-8-16-9-17-12/h1-5,8-9H,6-7H2,(H2,16,17,18,19,20).
What are the key properties of 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea?
1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea has a molecular weight of 272.28 g/mol, XLogP of 2.43, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[1-(2-fluorophenyl)cyclopropyl]-3-pyrimidin-4-ylurea is sourced from PubChem (CID 110490668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).