2-amino-1-methyl-4,5-dihydropyrimidin-6-one

C5H9N3O — CID 54484269

IUPAC2-amino-1-methyl-4,5-dihydropyrimidin-6-one
SMILESCN1C(=O)CCN=C1N
InChIInChI=1S/C5H9N3O/c1-8-4(9)2-3-7-5(8)6/h2-3H2,1H3,(H2,6,7)
InChIKeyXRENFCMQJUPAGO-UHFFFAOYSA-N
MW127.15 g/mol
LogP-0.84
Rot. Bonds

About 2-amino-1-methyl-4,5-dihydropyrimidin-6-one

2-amino-1-methyl-4,5-dihydropyrimidin-6-one (PubChem CID 54484269) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is 2-amino-1-methyl-4,5-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2-amino-1-methyl-4,5-dihydropyrimidin-6-one
PubChem CID54484269
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name2-amino-1-methyl-4,5-dihydropyrimidin-6-one
SMILESCN1C(=O)CCN=C1N
InChIInChI=1S/C5H9N3O/c1-8-4(9)2-3-7-5(8)6/h2-3H2,1H3,(H2,6,7)
InChIKeyXRENFCMQJUPAGO-UHFFFAOYSA-N
XLogP-0.84
TPSA58.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.84
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-amino-1-methyl-4,5-dihydropyrimidin-6-one?
The IUPAC name of 2-amino-1-methyl-4,5-dihydropyrimidin-6-one (CID 54484269) is 2-amino-1-methyl-4,5-dihydropyrimidin-6-one.
What is the SMILES notation for 2-amino-1-methyl-4,5-dihydropyrimidin-6-one?
The canonical SMILES for 2-amino-1-methyl-4,5-dihydropyrimidin-6-one is CN1C(=O)CCN=C1N.
What is the InChIKey of 2-amino-1-methyl-4,5-dihydropyrimidin-6-one?
The InChIKey is XRENFCMQJUPAGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H9N3O/c1-8-4(9)2-3-7-5(8)6/h2-3H2,1H3,(H2,6,7).
What are the key properties of 2-amino-1-methyl-4,5-dihydropyrimidin-6-one?
2-amino-1-methyl-4,5-dihydropyrimidin-6-one has a molecular weight of 127.15 g/mol, XLogP of -0.84, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-methyl-4,5-dihydropyrimidin-6-one is sourced from PubChem (CID 54484269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).