2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one

C17H14BrN3O2 — CID 135435151

IUPAC2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(OCc3ccccc3)cc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C17H14BrN3O2/c18-14-15(20-17(19)21-16(14)22)12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,20,21,22)
InChIKeyFWFVHHRBQWALBG-UHFFFAOYSA-N
MW372.22 g/mol
LogP3.36
Rot. Bonds4

About 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one

2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one (PubChem CID 135435151) has the molecular formula C17H14BrN3O2 and a molecular weight of 372.22 g/mol. Its IUPAC name is 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
PubChem CID135435151
Molecular FormulaC17H14BrN3O2
Molecular Weight372.22 g/mol
Exact Mass371.03
IUPAC Name2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
SMILESNc1nc(-c2ccc(OCc3ccccc3)cc2)c(Br)c(=O)[nH]1
InChIInChI=1S/C17H14BrN3O2/c18-14-15(20-17(19)21-16(14)22)12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,20,21,22)
InChIKeyFWFVHHRBQWALBG-UHFFFAOYSA-N
XLogP3.36
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.22
LogP ≤ 53.36
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

[2-amino-4-(4-phenylmethoxyphenyl)-1H-imidazol-5-yl]-(4-chlorophenyl)methanone
CID 102235937
2-amino-5-(4-phenylmethoxyphenyl)-3,7,8,9-tetrahydropyrimido[4,5-b]quinoline-4,6-dione
CID 135659171
2-[4-(aminomethyl)phenyl]-5-bromo-4-phenylmethoxy-1H-pyrimidin-6-one
CID 142947521
2-amino-5-bromo-4-pyridin-3-yl-1H-pyrimidin-6-one
CID 135480668
methyl 3-amino-6-bromo-2-(4-phenylmethoxyphenyl)pyridine-4-carboxylate
CID 86663009
3-bromo-5-(4-phenylmethoxyphenyl)pyrazin-2-amine
CID 155906636
2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
4-phenylmethoxyaniline
CID 159966727
2-amino-6-oxo-4-(4-phenylmethoxyphenyl)-1H-pyridine-3,5-dicarbonitrile
CID 169393056
5-(4-phenylmethoxyphenyl)-1H-pyrazol-3-amine
CID 3707491
5-bromo-3-(4-phenylmethoxyphenyl)pyrazine-2-carbonitrile
CID 118211302
3-(4-phenylmethoxyphenyl)-4,5-dihydro-1H-pyridazin-6-one
CID 141093047

Frequently Asked Questions

What is the IUPAC name of 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one (CID 135435151) is 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one is Nc1nc(-c2ccc(OCc3ccccc3)cc2)c(Br)c(=O)[nH]1.
What is the InChIKey of 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one?
The InChIKey is FWFVHHRBQWALBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H14BrN3O2/c18-14-15(20-17(19)21-16(14)22)12-6-8-13(9-7-12)23-10-11-4-2-1-3-5-11/h1-9H,10H2,(H3,19,20,21,22).
What are the key properties of 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one?
2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one has a molecular weight of 372.22 g/mol, XLogP of 3.36, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 135435151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).