2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one

C5H9N3O — CID 59025203

IUPAC2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one
SMILESCC1=CC(=O)NC(N)N1
InChIInChI=1S/C5H9N3O/c1-3-2-4(9)8-5(6)7-3/h2,5,7H,6H2,1H3,(H,8,9)
InChIKeyRVJOBUIPJKLWPZ-UHFFFAOYSA-N
MW127.15 g/mol
LogP-1.15
Rot. Bonds

About 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one

2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one (PubChem CID 59025203) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one.

Molecular Properties

Compound Name2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one
PubChem CID59025203
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one
SMILESCC1=CC(=O)NC(N)N1
InChIInChI=1S/C5H9N3O/c1-3-2-4(9)8-5(6)7-3/h2,5,7H,6H2,1H3,(H,8,9)
InChIKeyRVJOBUIPJKLWPZ-UHFFFAOYSA-N
XLogP-1.15
TPSA67.15 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-1.15
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one?
The IUPAC name of 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one (CID 59025203) is 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one.
What is the SMILES notation for 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one?
The canonical SMILES for 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one is CC1=CC(=O)NC(N)N1.
What is the InChIKey of 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one?
The InChIKey is RVJOBUIPJKLWPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-2-4(9)8-5(6)7-3/h2,5,7H,6H2,1H3,(H,8,9).
What are the key properties of 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one?
2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one has a molecular weight of 127.15 g/mol, XLogP of -1.15, 0 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-6-methyl-2,3-dihydro-1H-pyrimidin-4-one is sourced from PubChem (CID 59025203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).