1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea

C13H13BrN4O2 — CID 108897456

IUPAC1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ncc(Br)cn1
InChIInChI=1S/C13H13BrN4O2/c1-20-11-5-3-2-4-9(11)6-17-13(19)18-12-15-7-10(14)8-16-12/h2-5,7-8H,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyQFLIJOOMLTXZIK-UHFFFAOYSA-N
MW337.18 g/mol
LogP2.57
Rot. Bonds4

About 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea

1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea (PubChem CID 108897456) has the molecular formula C13H13BrN4O2 and a molecular weight of 337.18 g/mol. Its IUPAC name is 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea.

Molecular Properties

Compound Name1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
PubChem CID108897456
Molecular FormulaC13H13BrN4O2
Molecular Weight337.18 g/mol
Exact Mass336.02
IUPAC Name1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea
SMILESCOc1ccccc1CNC(=O)Nc1ncc(Br)cn1
InChIInChI=1S/C13H13BrN4O2/c1-20-11-5-3-2-4-9(11)6-17-13(19)18-12-15-7-10(14)8-16-12/h2-5,7-8H,6H2,1H3,(H2,15,16,17,18,19)
InChIKeyQFLIJOOMLTXZIK-UHFFFAOYSA-N
XLogP2.57
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500337.18
LogP ≤ 52.57
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-2-carboxamide
CID 62953516
2-amino-5-bromo-N-[(2-methoxyphenyl)methyl]pyridine-3-carboxamide
CID 62152678
1-ethyl-3-[(2-methoxyphenyl)methyl]urea
CID 38151032
1-(4-bromo-3-methylphenyl)-3-[(2-methoxyphenyl)methyl]urea
CID 108897435
1-(3,5-dimethyl-1,2-oxazol-4-yl)-3-[(2-methoxyphenyl)methyl]urea
CID 75462467
1-[(2-methoxyphenyl)methyl]-3-propylurea
CID 94828368
1-[(2-methoxyphenyl)methyl]-3-propan-2-ylurea
CID 23548352
3-[(2-methoxyphenyl)methylcarbamoylamino]-2-methylpropanoic acid
CID 62669746
N-(5-bromo-3-methyl-2-pyridinyl)-2-(2-methoxyphenyl)acetamide
CID 81489105
2-methoxy-N-[3-[(2-methoxyphenyl)methylcarbamoylamino]phenyl]acetamide
CID 38216887
1-[(2-methoxyphenyl)methyl]-3-(2-phenylpropyl)urea
CID 51291119
1-[(2-methoxyphenyl)methyl]-3-(thiophen-2-ylmethyl)urea
CID 38159170

Frequently Asked Questions

What is the IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea?
The IUPAC name of 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea (CID 108897456) is 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea.
What is the SMILES notation for 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea?
The canonical SMILES for 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea is COc1ccccc1CNC(=O)Nc1ncc(Br)cn1.
What is the InChIKey of 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea?
The InChIKey is QFLIJOOMLTXZIK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13BrN4O2/c1-20-11-5-3-2-4-9(11)6-17-13(19)18-12-15-7-10(14)8-16-12/h2-5,7-8H,6H2,1H3,(H2,15,16,17,18,19).
What are the key properties of 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea?
1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea has a molecular weight of 337.18 g/mol, XLogP of 2.57, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(5-bromopyrimidin-2-yl)-3-[(2-methoxyphenyl)methyl]urea is sourced from PubChem (CID 108897456), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).