5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one

C8H12N4O2 — CID 67821983

IUPAC5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(OC)nc(N)c(N)c1=O
InChIInChI=1S/C8H12N4O2/c1-3-4-12-7(13)5(9)6(10)11-8(12)14-2/h3H,1,4,9-10H2,2H3
InChIKeyAQKBKEZBKRHCEE-UHFFFAOYSA-N
MW196.21 g/mol
LogP-0.40
Rot. Bonds3

About 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one

5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one (PubChem CID 67821983) has the molecular formula C8H12N4O2 and a molecular weight of 196.21 g/mol. Its IUPAC name is 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one.

Molecular Properties

Compound Name5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one
PubChem CID67821983
Molecular FormulaC8H12N4O2
Molecular Weight196.21 g/mol
Exact Mass196.10
IUPAC Name5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one
SMILESC=CCn1c(OC)nc(N)c(N)c1=O
InChIInChI=1S/C8H12N4O2/c1-3-4-12-7(13)5(9)6(10)11-8(12)14-2/h3H,1,4,9-10H2,2H3
InChIKeyAQKBKEZBKRHCEE-UHFFFAOYSA-N
XLogP-0.40
TPSA96.16 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500196.21
LogP ≤ 5-0.40
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

Analyze 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-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

N-(4-amino-2-methoxy-1-methyl-6-oxopyrimidin-5-yl)acetamide
CID 360601
6-Amino-2-methoxy-3-prop-2-enylpyrimidin-4-one
CID 67822245
6-Amino-2-methoxy-5-nitroso-3-prop-2-enylpyrimidin-4-one
CID 88443578
5-Amino-2-methoxy-6-nitroso-3-prop-2-enylpyrimidin-4-one
CID 88472107
3-(2-Aminoethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79366572
2-Methoxy-6-methyl-3-[2-(methylamino)ethyl]pyrimidin-4-one
CID 79367325
2-(2-Methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79374112
3-[2-[2-(Diethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374264
3-[2-[2-(Dimethylamino)ethylamino]ethyl]-2-methoxy-6-methylpyrimidin-4-one
CID 79374629
2-Methoxy-6-methyl-3-[2-(prop-2-enylamino)ethyl]pyrimidin-4-one
CID 79374762
3-(2-Azidoethyl)-2-methoxy-6-methylpyrimidin-4-one
CID 79374819
N,N-diethyl-2-(2-methoxy-4-methyl-6-oxopyrimidin-1-yl)acetamide
CID 79375192

Frequently Asked Questions

What is the IUPAC name of 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
The IUPAC name of 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one (CID 67821983) is 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one.
What is the SMILES notation for 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
The canonical SMILES for 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one is C=CCn1c(OC)nc(N)c(N)c1=O.
What is the InChIKey of 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
The InChIKey is AQKBKEZBKRHCEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H12N4O2/c1-3-4-12-7(13)5(9)6(10)11-8(12)14-2/h3H,1,4,9-10H2,2H3.
What are the key properties of 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one?
5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one has a molecular weight of 196.21 g/mol, XLogP of -0.40, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-diamino-2-methoxy-3-prop-2-enylpyrimidin-4-one is sourced from PubChem (CID 67821983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).