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

C12H12N4O2 — CID 108869136

IUPAC1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
SMILESCOc1cccc(NC(=O)Nc2ncccn2)c1
InChIInChI=1S/C12H12N4O2/c1-18-10-5-2-4-9(8-10)15-12(17)16-11-13-6-3-7-14-11/h2-8H,1H3,(H2,13,14,15,16,17)
InChIKeyASHUJTADKPLECN-UHFFFAOYSA-N
MW244.25 g/mol
LogP2.13
Rot. Bonds3

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

1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea (PubChem CID 108869136) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea.

Molecular Properties

Compound Name1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
PubChem CID108869136
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea
SMILESCOc1cccc(NC(=O)Nc2ncccn2)c1
InChIInChI=1S/C12H12N4O2/c1-18-10-5-2-4-9(8-10)15-12(17)16-11-13-6-3-7-14-11/h2-8H,1H3,(H2,13,14,15,16,17)
InChIKeyASHUJTADKPLECN-UHFFFAOYSA-N
XLogP2.13
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[3-(pyrimidin-2-ylcarbamoylamino)phenyl] acetate
CID 108865196
1-(2-chloro-4-pyridinyl)-3-(3-methoxyphenyl)urea
CID 86001834
1-(3-methoxyphenyl)-3-(4-methoxyphenyl)urea
CID 872322
N-[3-[(3-methoxyphenyl)carbamoylamino]phenyl]acetamide
CID 6467465
1-(3-methoxyphenyl)-3-(4-methyl-2-pyridinyl)urea
CID 6464398
1-(3,4-diaminophenyl)-3-(3-methoxyphenyl)urea
CID 155694037
1-(3-methoxyphenyl)-3-(2-methyl-1,8-naphthyridin-3-yl)urea
CID 46947661
1-(3,5-dihydroxyphenyl)-3-(3-methoxyphenyl)urea
CID 108895444
1-(3-hydroxyphenyl)-3-pyrimidin-2-ylurea
CID 108895771
4-[(3-methoxyphenyl)carbamoylamino]benzoic acid
CID 4286151
methane;N-(3-methoxyphenyl)acetamide
CID 161026095
1-(5-chloro-3-pyridinyl)-3-(3-methoxyphenyl)urea
CID 35290961

Frequently Asked Questions

What is the IUPAC name of 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea?
The IUPAC name of 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea (CID 108869136) is 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea.
What is the SMILES notation for 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea?
The canonical SMILES for 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea is COc1cccc(NC(=O)Nc2ncccn2)c1.
What is the InChIKey of 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea?
The InChIKey is ASHUJTADKPLECN-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c1-18-10-5-2-4-9(8-10)15-12(17)16-11-13-6-3-7-14-11/h2-8H,1H3,(H2,13,14,15,16,17).
What are the key properties of 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea?
1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea has a molecular weight of 244.25 g/mol, XLogP of 2.13, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(3-methoxyphenyl)-3-pyrimidin-2-ylurea is sourced from PubChem (CID 108869136), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).