5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one

C12H11BrN2O3 — CID 114675867

IUPAC5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
SMILESCOc1cccc(COc2nc[nH]c(=O)c2Br)c1
InChIInChI=1S/C12H11BrN2O3/c1-17-9-4-2-3-8(5-9)6-18-12-10(13)11(16)14-7-15-12/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyQWFICLLANHDADW-UHFFFAOYSA-N
MW311.14 g/mol
LogP2.12
Rot. Bonds4

About 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one

5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one (PubChem CID 114675867) has the molecular formula C12H11BrN2O3 and a molecular weight of 311.14 g/mol. Its IUPAC name is 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
PubChem CID114675867
Molecular FormulaC12H11BrN2O3
Molecular Weight311.14 g/mol
Exact Mass310.00
IUPAC Name5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one
SMILESCOc1cccc(COc2nc[nH]c(=O)c2Br)c1
InChIInChI=1S/C12H11BrN2O3/c1-17-9-4-2-3-8(5-9)6-18-12-10(13)11(16)14-7-15-12/h2-5,7H,6H2,1H3,(H,14,15,16)
InChIKeyQWFICLLANHDADW-UHFFFAOYSA-N
XLogP2.12
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.14
LogP ≤ 52.12
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-bromo-4-[3-(methylaminomethyl)phenoxy]-1H-pyrimidin-6-one
CID 106486617
5-bromo-2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 61227713
3-[(3-methoxyphenyl)methoxy]pyrazine-2-carbonitrile
CID 55104413
5-chloro-4-[(3-chlorophenyl)methoxy]-1H-pyrimidin-6-one
CID 114676466
2-[(3-methoxyphenyl)methoxy]pyridin-3-amine
CID 24708484
[5-bromo-4-[(3-methoxyphenyl)methoxy]pyrimidin-2-yl]hydrazine
CID 80914039
[3-bromo-2-[(3-methoxyphenyl)methoxy]phenyl]-trimethoxysilane
CID 59244002
5-bromo-4-(4-methoxy-2-nitrophenoxy)-1H-pyrimidin-6-one
CID 114676323
4-[4-(aminomethyl)-2-methoxyphenoxy]-5-bromo-1H-pyrimidin-6-one
CID 114585934
3-(chloromethyl)-2-[(3-methoxyphenyl)methoxy]pyridine
CID 61256426
3-[(3-methoxyphenyl)methoxy]quinoxalin-2-amine
CID 102987596
2-[(3-methoxyphenyl)methoxy]-1,3-thiazol-5-amine
CID 102769354

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one?
The IUPAC name of 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one (CID 114675867) is 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one.
What is the SMILES notation for 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one?
The canonical SMILES for 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one is COc1cccc(COc2nc[nH]c(=O)c2Br)c1.
What is the InChIKey of 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one?
The InChIKey is QWFICLLANHDADW-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11BrN2O3/c1-17-9-4-2-3-8(5-9)6-18-12-10(13)11(16)14-7-15-12/h2-5,7H,6H2,1H3,(H,14,15,16).
What are the key properties of 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one?
5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one has a molecular weight of 311.14 g/mol, XLogP of 2.12, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(3-methoxyphenyl)methoxy]-1H-pyrimidin-6-one is sourced from PubChem (CID 114675867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).