3,4-diamino-1,2-dihydropyrimidin-6-one

C4H8N4O — CID 70149233

IUPAC3,4-diamino-1,2-dihydropyrimidin-6-one
SMILESNC1=CC(=O)NCN1N
InChIInChI=1S/C4H8N4O/c5-3-1-4(9)7-2-8(3)6/h1H,2,5-6H2,(H,7,9)
InChIKeySFCKLDDGMIBKAU-UHFFFAOYSA-N
MW128.13 g/mol
LogP-1.95
Rot. Bonds

About 3,4-diamino-1,2-dihydropyrimidin-6-one

3,4-diamino-1,2-dihydropyrimidin-6-one (PubChem CID 70149233) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 3,4-diamino-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name3,4-diamino-1,2-dihydropyrimidin-6-one
PubChem CID70149233
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name3,4-diamino-1,2-dihydropyrimidin-6-one
SMILESNC1=CC(=O)NCN1N
InChIInChI=1S/C4H8N4O/c5-3-1-4(9)7-2-8(3)6/h1H,2,5-6H2,(H,7,9)
InChIKeySFCKLDDGMIBKAU-UHFFFAOYSA-N
XLogP-1.95
TPSA84.38 Ų
H-Bond Donors3
H-Bond Acceptors4
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.13
LogP ≤ 5-1.95
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

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

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Frequently Asked Questions

What is the IUPAC name of 3,4-diamino-1,2-dihydropyrimidin-6-one?
The IUPAC name of 3,4-diamino-1,2-dihydropyrimidin-6-one (CID 70149233) is 3,4-diamino-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 3,4-diamino-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 3,4-diamino-1,2-dihydropyrimidin-6-one is NC1=CC(=O)NCN1N.
What is the InChIKey of 3,4-diamino-1,2-dihydropyrimidin-6-one?
The InChIKey is SFCKLDDGMIBKAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-3-1-4(9)7-2-8(3)6/h1H,2,5-6H2,(H,7,9).
What are the key properties of 3,4-diamino-1,2-dihydropyrimidin-6-one?
3,4-diamino-1,2-dihydropyrimidin-6-one has a molecular weight of 128.13 g/mol, XLogP of -1.95, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3,4-diamino-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 70149233), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).