1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea

C11H10N4O2 — CID 108895771

IUPAC1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
SMILESO=C(Nc1cccc(O)c1)Nc1ncccn1
InChIInChI=1S/C11H10N4O2/c16-9-4-1-3-8(7-9)14-11(17)15-10-12-5-2-6-13-10/h1-7,16H,(H2,12,13,14,15,17)
InChIKeyIRBIVVGPWLUOIN-UHFFFAOYSA-N
MW230.23 g/mol
LogP1.83
Rot. Bonds2

About 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea

1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea (PubChem CID 108895771) has the molecular formula C11H10N4O2 and a molecular weight of 230.23 g/mol. Its IUPAC name is 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
PubChem CID108895771
Molecular FormulaC11H10N4O2
Molecular Weight230.23 g/mol
Exact Mass230.08
IUPAC Name1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
SMILESO=C(Nc1cccc(O)c1)Nc1ncccn1
InChIInChI=1S/C11H10N4O2/c16-9-4-1-3-8(7-9)14-11(17)15-10-12-5-2-6-13-10/h1-7,16H,(H2,12,13,14,15,17)
InChIKeyIRBIVVGPWLUOIN-UHFFFAOYSA-N
XLogP1.83
TPSA87.14 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500230.23
LogP ≤ 51.83
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Related Compounds

1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
CID 108869136
[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
N-[4-[(3-hydroxyphenyl)carbamoylamino]phenyl]acetamide
CID 108895676
1-amino-3-(3-hydroxyphenyl)urea
CID 23273555
1-(3-hydroxyphenyl)-3-(6-methyl-3-pyridinyl)urea
CID 108895931
(E)-3-[3-(pyrimidin-2-ylcarbamoylamino)phenyl]prop-2-enoic acid
CID 115340564
1-(3-hydroxyphenyl)-3-(6-oxo-1H-pyridazin-3-yl)urea
CID 108887192
1-(4-fluorophenyl)-3-pyrimidin-2-ylurea
CID 4066669
1-(3-hydroxyphenyl)-3-(3-nitrophenyl)urea
CID 28540569
1-(3-hydroxyphenyl)-3-[3-(1H-pyrrolo[2,3-b]pyridine-3-carbonyl)phenyl]urea
CID 70320240
1-(3-hydroxyphenyl)-3-[6-[(3-hydroxyphenyl)carbamoylamino]hexyl]urea
CID 71353515
1-(3-hydroxyphenyl)-3-[4-(methanesulfonamido)phenyl]urea
CID 108875136

Frequently Asked Questions

What is the IUPAC name of 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea?
The IUPAC name of 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea (CID 108895771) is 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea is O=C(Nc1cccc(O)c1)Nc1ncccn1.
What is the InChIKey of 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea?
The InChIKey is IRBIVVGPWLUOIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10N4O2/c16-9-4-1-3-8(7-9)14-11(17)15-10-12-5-2-6-13-10/h1-7,16H,(H2,12,13,14,15,17).
What are the key properties of 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea?
1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea has a molecular weight of 230.23 g/mol, XLogP of 1.83, 2 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108895771), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).