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

C5H9N3O — CID 22987932

IUPAC4-amino-4-methyl-1,3-dihydropyrimidin-2-one
SMILESCC1(N)C=CNC(=O)N1
InChIInChI=1S/C5H9N3O/c1-5(6)2-3-7-4(9)8-5/h2-3H,6H2,1H3,(H2,7,8,9)
InChIKeyCOHVJBUINVIGOI-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.51
Rot. Bonds

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

4-amino-4-methyl-1,3-dihydropyrimidin-2-one (PubChem CID 22987932) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 4-amino-4-methyl-1,3-dihydropyrimidin-2-one.

Molecular Properties

Compound Name4-amino-4-methyl-1,3-dihydropyrimidin-2-one
PubChem CID22987932
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name4-amino-4-methyl-1,3-dihydropyrimidin-2-one
SMILESCC1(N)C=CNC(=O)N1
InChIInChI=1S/C5H9N3O/c1-5(6)2-3-7-4(9)8-5/h2-3H,6H2,1H3,(H2,7,8,9)
InChIKeyCOHVJBUINVIGOI-UHFFFAOYSA-N
XLogP-0.51
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors2
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.51
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-amino-4-methyl-1,3-dihydropyrimidin-2-one?
The IUPAC name of 4-amino-4-methyl-1,3-dihydropyrimidin-2-one (CID 22987932) is 4-amino-4-methyl-1,3-dihydropyrimidin-2-one.
What is the SMILES notation for 4-amino-4-methyl-1,3-dihydropyrimidin-2-one?
The canonical SMILES for 4-amino-4-methyl-1,3-dihydropyrimidin-2-one is CC1(N)C=CNC(=O)N1.
What is the InChIKey of 4-amino-4-methyl-1,3-dihydropyrimidin-2-one?
The InChIKey is COHVJBUINVIGOI-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-5(6)2-3-7-4(9)8-5/h2-3H,6H2,1H3,(H2,7,8,9).
What are the key properties of 4-amino-4-methyl-1,3-dihydropyrimidin-2-one?
4-amino-4-methyl-1,3-dihydropyrimidin-2-one has a molecular weight of 127.15 g/mol, XLogP of -0.51, 0 rotatable bonds, 3 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-4-methyl-1,3-dihydropyrimidin-2-one is sourced from PubChem (CID 22987932), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).