5-amino-2-phenylmethoxy-1H-pyrimidin-6-one

C11H11N3O2 — CID 141435481

IUPAC5-amino-2-phenylmethoxy-1H-pyrimidin-6-one
SMILESNc1cnc(OCc2ccccc2)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c12-9-6-13-11(14-10(9)15)16-7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14,15)
InChIKeyBSHSGEJXXZFELF-UHFFFAOYSA-N
MW217.23 g/mol
LogP0.93
Rot. Bonds3

About 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one

5-amino-2-phenylmethoxy-1H-pyrimidin-6-one (PubChem CID 141435481) has the molecular formula C11H11N3O2 and a molecular weight of 217.23 g/mol. Its IUPAC name is 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-phenylmethoxy-1H-pyrimidin-6-one
PubChem CID141435481
Molecular FormulaC11H11N3O2
Molecular Weight217.23 g/mol
Exact Mass217.09
IUPAC Name5-amino-2-phenylmethoxy-1H-pyrimidin-6-one
SMILESNc1cnc(OCc2ccccc2)[nH]c1=O
InChIInChI=1S/C11H11N3O2/c12-9-6-13-11(14-10(9)15)16-7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14,15)
InChIKeyBSHSGEJXXZFELF-UHFFFAOYSA-N
XLogP0.93
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500217.23
LogP ≤ 50.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-amino-8-phenylmethoxy-1,7-dihydropurin-6-one;hydrochloride
CID 136934360
5-phenylmethoxypyrimidin-2-amine
CID 20748397
3-phenylmethoxy-1H-azet-2-one
CID 174589199
5-ethyl-2-phenylmethoxy-3H-pyrano[2,3-d]pyrimidine-4,7-dione
CID 57397199
5-methyl-6-phenylmethoxy-1H-pyrimidin-2-one
CID 18959450
3-amino-2-phenylmethoxy-1H-quinolin-4-one
CID 67393102
4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile
CID 70924919
2-amino-5-bromo-4-(4-phenylmethoxyphenyl)-1H-pyrimidin-6-one
CID 135435151
5-amino-2-pyridazin-3-yl-1H-pyrimidin-6-one;benzyl N-(4-phenylmethoxy-2-pyridazin-3-ylpyrimidin-5-yl)carbamate
CID 160890911
2-[(3-phenylphenyl)methoxy]-3H-pyrido[3,4-d]pyrimidin-4-one
CID 136644293
3,9-dimethyl-8-phenylmethoxypurine-2,6-dione
CID 10684604
6-phenylmethoxypyridine-2,3-diamine
CID 67311804

Frequently Asked Questions

What is the IUPAC name of 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one (CID 141435481) is 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one is Nc1cnc(OCc2ccccc2)[nH]c1=O.
What is the InChIKey of 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one?
The InChIKey is BSHSGEJXXZFELF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H11N3O2/c12-9-6-13-11(14-10(9)15)16-7-8-4-2-1-3-5-8/h1-6H,7,12H2,(H,13,14,15).
What are the key properties of 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one?
5-amino-2-phenylmethoxy-1H-pyrimidin-6-one has a molecular weight of 217.23 g/mol, XLogP of 0.93, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-phenylmethoxy-1H-pyrimidin-6-one is sourced from PubChem (CID 141435481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).