(4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one

C5H9N3O — CID 92532667

IUPAC(4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESC[C@H]1CC(=O)NC(N)=N1
InChIInChI=1S/C5H9N3O/c1-3-2-4(9)8-5(6)7-3/h3H,2H2,1H3,(H3,6,7,8,9)/t3-/m0/s1
InChIKeyCYYAGBJALIGBOD-VKHMYHEASA-N
MW127.15 g/mol
LogP-0.79
Rot. Bonds

About (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one

(4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 92532667) has the molecular formula C5H9N3O and a molecular weight of 127.15 g/mol. Its IUPAC name is (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name(4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID92532667
Molecular FormulaC5H9N3O
Molecular Weight127.15 g/mol
Exact Mass127.07
IUPAC Name(4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one
SMILESC[C@H]1CC(=O)NC(N)=N1
InChIInChI=1S/C5H9N3O/c1-3-2-4(9)8-5(6)7-3/h3H,2H2,1H3,(H3,6,7,8,9)/t3-/m0/s1
InChIKeyCYYAGBJALIGBOD-VKHMYHEASA-N
XLogP-0.79
TPSA67.48 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500127.15
LogP ≤ 5-0.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one (CID 92532667) is (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one is C[C@H]1CC(=O)NC(N)=N1.
What is the InChIKey of (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is CYYAGBJALIGBOD-VKHMYHEASA-N. The full InChI is InChI=1S/C5H9N3O/c1-3-2-4(9)8-5(6)7-3/h3H,2H2,1H3,(H3,6,7,8,9)/t3-/m0/s1.
What are the key properties of (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one?
(4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 127.15 g/mol, XLogP of -0.79, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4S)-2-amino-4-methyl-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 92532667), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).