5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one

C8H9N5O2 — CID 136902041

IUPAC5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCc2ccno2)nc[nH]c1=O
InChIInChI=1S/C8H9N5O2/c9-6-7(11-4-12-8(6)14)10-3-5-1-2-13-15-5/h1-2,4H,3,9H2,(H2,10,11,12,14)
InChIKeyUYCRCHPUCHTVBP-UHFFFAOYSA-N
MW207.19 g/mol
LogP-0.05
Rot. Bonds3

About 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one

5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one (PubChem CID 136902041) has the molecular formula C8H9N5O2 and a molecular weight of 207.19 g/mol. Its IUPAC name is 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
PubChem CID136902041
Molecular FormulaC8H9N5O2
Molecular Weight207.19 g/mol
Exact Mass207.08
IUPAC Name5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one
SMILESNc1c(NCc2ccno2)nc[nH]c1=O
InChIInChI=1S/C8H9N5O2/c9-6-7(11-4-12-8(6)14)10-3-5-1-2-13-15-5/h1-2,4H,3,9H2,(H2,10,11,12,14)
InChIKeyUYCRCHPUCHTVBP-UHFFFAOYSA-N
XLogP-0.05
TPSA109.83 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500207.19
LogP ≤ 5-0.05
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

Analyze 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

5-amino-4-[(4-methylphenyl)methylamino]-1H-pyrimidin-6-one
CID 135575672
5-amino-4-[(4-hydroxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 137016701
3-N-(1,2-oxazol-5-ylmethyl)pyrazine-2,3-diamine
CID 106424136
5-amino-4-[[3-(aminomethyl)phenyl]methylamino]-1H-pyrimidin-6-one
CID 136972704
5-amino-4-[(4-fluoro-3,5-dimethylphenyl)methylamino]-1H-pyrimidin-6-one
CID 136976407
5-amino-4-[(4-methoxyphenyl)methylamino]-1H-pyrimidin-6-one
CID 135568300
5-amino-4-[[4-(aminomethyl)-2-fluorophenyl]methylamino]-1H-pyrimidin-6-one
CID 136972869
5-amino-4-(3-aminopropylamino)-1H-pyrimidin-6-one
CID 136973357
5-amino-4-(2-methylpropylamino)-1H-pyrimidin-6-one
CID 136973510
5-amino-4-(2,2,3,3-tetrafluoropropylamino)-1H-pyrimidin-6-one
CID 136819406
5-amino-4-[(4-methyl-1,3-thiazol-5-yl)methylamino]-1H-pyrimidin-6-one
CID 136975652
5-amino-4-[(5-methyl-1H-pyrazol-4-yl)methylamino]-1H-pyrimidin-6-one
CID 136974356

Frequently Asked Questions

What is the IUPAC name of 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one (CID 136902041) is 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one is Nc1c(NCc2ccno2)nc[nH]c1=O.
What is the InChIKey of 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one?
The InChIKey is UYCRCHPUCHTVBP-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H9N5O2/c9-6-7(11-4-12-8(6)14)10-3-5-1-2-13-15-5/h1-2,4H,3,9H2,(H2,10,11,12,14).
What are the key properties of 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one?
5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one has a molecular weight of 207.19 g/mol, XLogP of -0.05, 3 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-4-(1,2-oxazol-5-ylmethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 136902041), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).