1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea

C12H11FN4O — CID 108898501

IUPAC1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
SMILESO=C(NCc1cccc(F)c1)Nc1ncccn1
InChIInChI=1S/C12H11FN4O/c13-10-4-1-3-9(7-10)8-16-12(18)17-11-14-5-2-6-15-11/h1-7H,8H2,(H2,14,15,16,17,18)
InChIKeyFCEYQITXZCOZAD-UHFFFAOYSA-N
MW246.25 g/mol
LogP1.94
Rot. Bonds3

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

1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea (PubChem CID 108898501) has the molecular formula C12H11FN4O and a molecular weight of 246.25 g/mol. Its IUPAC name is 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
PubChem CID108898501
Molecular FormulaC12H11FN4O
Molecular Weight246.25 g/mol
Exact Mass246.09
IUPAC Name1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea
SMILESO=C(NCc1cccc(F)c1)Nc1ncccn1
InChIInChI=1S/C12H11FN4O/c13-10-4-1-3-9(7-10)8-16-12(18)17-11-14-5-2-6-15-11/h1-7H,8H2,(H2,14,15,16,17,18)
InChIKeyFCEYQITXZCOZAD-UHFFFAOYSA-N
XLogP1.94
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500246.25
LogP ≤ 51.94
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

1-[(3-bromophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108898870
1-[(3-fluorophenyl)methyl]-3-sulfanylurea
CID 141033956
1-[(3-fluorophenyl)methyl]-3-(2,3,4-trifluorophenyl)urea
CID 108892644
1-[(3-fluorophenyl)methyl]-3-(3-methylphenyl)urea
CID 47172104
2-[(3-fluorophenyl)methylcarbamoylamino]acetic acid
CID 16780933
1-[(4-chlorophenyl)methyl]-3-pyrimidin-2-ylurea
CID 108899241
1-(3,4-dimethylphenyl)-3-[(3-fluorophenyl)methyl]urea
CID 47192342
N-[(3-fluorophenyl)methyl]-4-(pyridin-4-ylmethylcarbamoylamino)benzamide
CID 135222520
1-[(4-bromophenyl)methyl]-3-[(3-fluorophenyl)methyl]urea
CID 108898606
2-[(3-fluorophenyl)methylcarbamoylamino]benzamide
CID 108898547
1-[(3-fluorophenyl)methyl]-3-(3-methylsulfanylphenyl)urea
CID 47192931
[3-[(3-fluorophenyl)methylcarbamoylamino]phenyl] hypochlorite
CID 142259796

Frequently Asked Questions

What is the IUPAC name of 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea?
The IUPAC name of 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea (CID 108898501) is 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea is O=C(NCc1cccc(F)c1)Nc1ncccn1.
What is the InChIKey of 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea?
The InChIKey is FCEYQITXZCOZAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11FN4O/c13-10-4-1-3-9(7-10)8-16-12(18)17-11-14-5-2-6-15-11/h1-7H,8H2,(H2,14,15,16,17,18).
What are the key properties of 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea?
1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea has a molecular weight of 246.25 g/mol, XLogP of 1.94, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(3-fluorophenyl)methyl]-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108898501), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).