4-amino-3-methyl-1,4-dihydropyrimidin-2-one

C5H9N3O — CID 55289347

IUPAC4-amino-3-methyl-1,4-dihydropyrimidin-2-one
SMILESCN1C(=O)NC=CC1N
InChIInChI=1S/C5H9N3O/c1-8-4(6)2-3-7-5(8)9/h2-4H,6H2,1H3,(H,7,9)
InChIKeyZPMYBRJEOPDQEV-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.56
Rot. Bonds

About 4-amino-3-methyl-1,4-dihydropyrimidin-2-one

4-amino-3-methyl-1,4-dihydropyrimidin-2-one (PubChem CID 55289347) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-amino-3-methyl-1,4-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-3-methyl-1,4-dihydropyrimidin-2-one
PubChem CID55289347
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-amino-3-methyl-1,4-dihydropyrimidin-2-one
SMILESCN1C(=O)NC=CC1N
InChIInChI=1S/C5H9N3O/c1-8-4(6)2-3-7-5(8)9/h2-4H,6H2,1H3,(H,7,9)
InChIKeyZPMYBRJEOPDQEV-UHFFFAOYSA-N
XLogP-0.56
TPSA58.36 Ų
H-Bond Donors2
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.56
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one (CID 55289347) is 4-amino-3-methyl-1,4-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-3-methyl-1,4-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-3-methyl-1,4-dihydropyrimidin-2-one is CN1C(=O)NC=CC1N.
What is the InChIKey of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one?
The InChIKey is ZPMYBRJEOPDQEV-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-4(6)2-3-7-5(8)9/h2-4H,6H2,1H3,(H,7,9).
What are the key properties of 4-amino-3-methyl-1,4-dihydropyrimidin-2-one?
4-amino-3-methyl-1,4-dihydropyrimidin-2-one has a molecular weight of 127.15 g/mol, XLogP of -0.56, 0 rotatable bonds, 2 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-3-methyl-1,4-dihydropyrimidin-2-one is sourced from PubChem (CID 55289347), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).