4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one

C12H13N3O2 — CID 137273215

IUPAC4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(COCc2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c13-10-6-12(16)15-11(14-10)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,13,14,15,16)
InChIKeyVOODVNZALJHMGL-UHFFFAOYSA-N
MW231.26 g/mol
LogP1.07
Rot. Bonds4

About 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one

4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one (PubChem CID 137273215) has the molecular formula C12H13N3O2 and a molecular weight of 231.26 g/mol. Its IUPAC name is 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one
PubChem CID137273215
Molecular FormulaC12H13N3O2
Molecular Weight231.26 g/mol
Exact Mass231.10
IUPAC Name4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one
SMILESNc1cc(=O)[nH]c(COCc2ccccc2)n1
InChIInChI=1S/C12H13N3O2/c13-10-6-12(16)15-11(14-10)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,13,14,15,16)
InChIKeyVOODVNZALJHMGL-UHFFFAOYSA-N
XLogP1.07
TPSA81.00 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500231.26
LogP ≤ 51.07
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

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4-amino-6-oxo-2-phenylmethoxy-1H-pyridine-3-carbonitrile
CID 70924919
2-(phenylmethoxymethyl)-5-(trifluoromethyl)-1H-[1,2,4]triazolo[1,5-a]pyrimidin-7-one
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Frequently Asked Questions

What is the IUPAC name of 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one (CID 137273215) is 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one is Nc1cc(=O)[nH]c(COCc2ccccc2)n1.
What is the InChIKey of 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one?
The InChIKey is VOODVNZALJHMGL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H13N3O2/c13-10-6-12(16)15-11(14-10)8-17-7-9-4-2-1-3-5-9/h1-6H,7-8H2,(H3,13,14,15,16).
What are the key properties of 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one?
4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one has a molecular weight of 231.26 g/mol, XLogP of 1.07, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-2-(phenylmethoxymethyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 137273215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).