2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one

C13H17N3O2 — CID 163610086

IUPAC2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one
SMILESCC1=C(OCc2ccccc2)C(=O)NC(C)(N)N1
InChIInChI=1S/C13H17N3O2/c1-9-11(12(17)16-13(2,14)15-9)18-8-10-6-4-3-5-7-10/h3-7,15H,8,14H2,1-2H3,(H,16,17)
InChIKeyYPNIDVLOWIZHNH-UHFFFAOYSA-N
MW247.30 g/mol
LogP0.79
Rot. Bonds3

About 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one

2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one (PubChem CID 163610086) has the molecular formula C13H17N3O2 and a molecular weight of 247.30 g/mol. Its IUPAC name is 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one.

Molecular Properties

Compound Name2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one
PubChem CID163610086
Molecular FormulaC13H17N3O2
Molecular Weight247.30 g/mol
Exact Mass247.13
IUPAC Name2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one
SMILESCC1=C(OCc2ccccc2)C(=O)NC(C)(N)N1
InChIInChI=1S/C13H17N3O2/c1-9-11(12(17)16-13(2,14)15-9)18-8-10-6-4-3-5-7-10/h3-7,15H,8,14H2,1-2H3,(H,16,17)
InChIKeyYPNIDVLOWIZHNH-UHFFFAOYSA-N
XLogP0.79
TPSA76.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500247.30
LogP ≤ 50.79
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one?
The IUPAC name of 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one (CID 163610086) is 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one.
What is the SMILES notation for 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one?
The canonical SMILES for 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one is CC1=C(OCc2ccccc2)C(=O)NC(C)(N)N1.
What is the InChIKey of 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one?
The InChIKey is YPNIDVLOWIZHNH-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H17N3O2/c1-9-11(12(17)16-13(2,14)15-9)18-8-10-6-4-3-5-7-10/h3-7,15H,8,14H2,1-2H3,(H,16,17).
What are the key properties of 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one?
2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one has a molecular weight of 247.30 g/mol, XLogP of 0.79, 3 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-2,6-dimethyl-5-phenylmethoxy-1,3-dihydropyrimidin-4-one is sourced from PubChem (CID 163610086), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).