5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine

C13H15BrN2O2 — CID 71217061

IUPAC5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine
SMILESCOc1ccc(COC2N=C(C)NC=C2Br)cc1
InChIInChI=1S/C13H15BrN2O2/c1-9-15-7-12(14)13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7,13H,8H2,1-2H3,(H,15,16)
InChIKeyYQNWJMKINKZWDL-UHFFFAOYSA-N
MW311.18 g/mol
LogP2.80
Rot. Bonds4

About 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine

5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine (PubChem CID 71217061) has the molecular formula C13H15BrN2O2 and a molecular weight of 311.18 g/mol. Its IUPAC name is 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine.

Molecular Properties

Compound Name5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine
PubChem CID71217061
Molecular FormulaC13H15BrN2O2
Molecular Weight311.18 g/mol
Exact Mass310.03
IUPAC Name5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine
SMILESCOc1ccc(COC2N=C(C)NC=C2Br)cc1
InChIInChI=1S/C13H15BrN2O2/c1-9-15-7-12(14)13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7,13H,8H2,1-2H3,(H,15,16)
InChIKeyYQNWJMKINKZWDL-UHFFFAOYSA-N
XLogP2.80
TPSA42.85 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.18
LogP ≤ 52.80
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[(1S,2S,3S,4R,5S,6R)-2,5-bis[(4-methoxyphenyl)methoxy]-3,4,6-tris(phenylmethoxy)cyclohexyl]oxymethyl]-4-methoxybenzene
CID 11764294
3-bromo-2-[(4-methoxyphenyl)methoxy]-4-methylpyridine
CID 67000104
(4-methoxyphenyl)methyl hypobromite
CID 166766888
(1S,2R,4S,5S)-6-[(4-methoxyphenyl)methoxy]cyclohexane-1,2,3,4,5-pentol
CID 91096427
(4-bromophenyl)methyl-[(4-methoxyphenyl)methyl]azanium
CID 3504597
(2S,3S)-2-(methoxymethoxy)-3-[(4-methoxyphenyl)methoxy]oxirane
CID 100966838
3-[(4-methoxyphenyl)methoxy]-1-methylazetidine
CID 20517347
2-[(4-methoxyphenyl)methoxy]azete
CID 70424831
CID 175604529
CID 175604529
3-[(4-methoxyphenyl)methoxy]cyclobutane-1-carbaldehyde
CID 118050407
(1S,2S,3R,4R,5S,6S)-2-[(4-methoxyphenyl)methoxy]-3,4,5,6-tetrakis(phenylmethoxy)cyclohexan-1-ol
CID 11039611
tetrakis[(4-methoxyphenyl)methoxy]boranuide
CID 101479355

Frequently Asked Questions

What is the IUPAC name of 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine?
The IUPAC name of 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine (CID 71217061) is 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine.
What is the SMILES notation for 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine?
The canonical SMILES for 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine is COc1ccc(COC2N=C(C)NC=C2Br)cc1.
What is the InChIKey of 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine?
The InChIKey is YQNWJMKINKZWDL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15BrN2O2/c1-9-15-7-12(14)13(16-9)18-8-10-3-5-11(17-2)6-4-10/h3-7,13H,8H2,1-2H3,(H,15,16).
What are the key properties of 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine?
5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine has a molecular weight of 311.18 g/mol, XLogP of 2.80, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-bromo-4-[(4-methoxyphenyl)methoxy]-2-methyl-1,4-dihydropyrimidine is sourced from PubChem (CID 71217061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).