2-amino-3-benzyl-4,5-dihydropyrimidin-6-one

C11H13N3O — CID 13398166

IUPAC2-amino-3-benzyl-4,5-dihydropyrimidin-6-one
SMILESNC1=NC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C11H13N3O/c12-11-13-10(15)6-7-14(11)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13,15)
InChIKeyMWRIIDRMBLQTMZ-UHFFFAOYSA-N
MW203.25 g/mol
LogP0.73
Rot. Bonds2

About 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one

2-amino-3-benzyl-4,5-dihydropyrimidin-6-one (PubChem CID 13398166) has the molecular formula C11H13N3O and a molecular weight of 203.25 g/mol. Its IUPAC name is 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-3-benzyl-4,5-dihydropyrimidin-6-one
PubChem CID13398166
Molecular FormulaC11H13N3O
Molecular Weight203.25 g/mol
Exact Mass203.11
IUPAC Name2-amino-3-benzyl-4,5-dihydropyrimidin-6-one
SMILESNC1=NC(=O)CCN1Cc1ccccc1
InChIInChI=1S/C11H13N3O/c12-11-13-10(15)6-7-14(11)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13,15)
InChIKeyMWRIIDRMBLQTMZ-UHFFFAOYSA-N
XLogP0.73
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500203.25
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

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Frequently Asked Questions

What is the IUPAC name of 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one (CID 13398166) is 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one is NC1=NC(=O)CCN1Cc1ccccc1.
What is the InChIKey of 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one?
The InChIKey is MWRIIDRMBLQTMZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3O/c12-11-13-10(15)6-7-14(11)8-9-4-2-1-3-5-9/h1-5H,6-8H2,(H2,12,13,15).
What are the key properties of 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one?
2-amino-3-benzyl-4,5-dihydropyrimidin-6-one has a molecular weight of 203.25 g/mol, XLogP of 0.73, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-3-benzyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 13398166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).