[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea

C13H14N4O2 — CID 69125604

IUPAC[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea
SMILESCOc1ncc(-c2ccc(CNC(N)=O)cc2)cn1
InChIInChI=1S/C13H14N4O2/c1-19-13-16-7-11(8-17-13)10-4-2-9(3-5-10)6-15-12(14)18/h2-5,7-8H,6H2,1H3,(H3,14,15,18)
InChIKeyWBOXBQALJIPHDL-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.32
Rot. Bonds4

About [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea

[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea (PubChem CID 69125604) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea.

Molecular Properties

Compound Name[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea
PubChem CID69125604
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea
SMILESCOc1ncc(-c2ccc(CNC(N)=O)cc2)cn1
InChIInChI=1S/C13H14N4O2/c1-19-13-16-7-11(8-17-13)10-4-2-9(3-5-10)6-15-12(14)18/h2-5,7-8H,6H2,1H3,(H3,14,15,18)
InChIKeyWBOXBQALJIPHDL-UHFFFAOYSA-N
XLogP1.32
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

N-[(4-bromophenyl)methyl]-4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]benzamide
CID 53116681
2-methoxy-N-[[4-(trifluoromethyl)phenyl]methyl]pyrimidine-5-carboxamide
CID 53152267
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-methylsulfanylphenyl)methyl]benzamide
CID 53116683
4-[2-(4-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116689
2-[4-(2-methoxypyrimidin-5-yl)phenyl]propan-1-amine
CID 66635090
ethane;pyridin-4-ylmethylurea
CID 144877282
N-[(3,4-dimethoxyphenyl)methyl]-5-phenylpyridine-2-carboxamide
CID 110683588
methyl 2-[[4-[(carbamoylamino)methyl]benzoyl]amino]acetate
CID 43406999
4-[2-(3-methoxyphenoxy)pyrimidin-5-yl]-N-[(4-propoxyphenyl)methyl]benzamide
CID 53116746
2-[4-(2-methoxypyrimidin-5-yl)phenyl]pentanoic acid
CID 68888731
4-[(carbamoylamino)methyl]-N-methylbenzamide
CID 39969427
1-(4-ethylphenyl)-3-(2-methoxypyrimidin-5-yl)urea
CID 91968447

Frequently Asked Questions

What is the IUPAC name of [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea?
The IUPAC name of [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea (CID 69125604) is [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea.
What is the SMILES notation for [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea?
The canonical SMILES for [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea is COc1ncc(-c2ccc(CNC(N)=O)cc2)cn1.
What is the InChIKey of [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea?
The InChIKey is WBOXBQALJIPHDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-19-13-16-7-11(8-17-13)10-4-2-9(3-5-10)6-15-12(14)18/h2-5,7-8H,6H2,1H3,(H3,14,15,18).
What are the key properties of [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea?
[4-(2-methoxypyrimidin-5-yl)phenyl]methylurea has a molecular weight of 258.28 g/mol, XLogP of 1.32, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [4-(2-methoxypyrimidin-5-yl)phenyl]methylurea is sourced from PubChem (CID 69125604), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).