2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one

C4H8N4O — CID 12736612

IUPAC2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one
SMILESNC1=NCC(N)C(=O)N1
InChIInChI=1S/C4H8N4O/c5-2-1-7-4(6)8-3(2)9/h2H,1,5H2,(H3,6,7,8,9)
InChIKeyYBZUJSGPOVUZSQ-UHFFFAOYSA-N
MW128.13 g/mol
LogP-2.24
Rot. Bonds

About 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one

2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one (PubChem CID 12736612) has the molecular formula C4H8N4O and a molecular weight of 128.13 g/mol. Its IUPAC name is 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one
PubChem CID12736612
Molecular FormulaC4H8N4O
Molecular Weight128.13 g/mol
Exact Mass128.07
IUPAC Name2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one
SMILESNC1=NCC(N)C(=O)N1
InChIInChI=1S/C4H8N4O/c5-2-1-7-4(6)8-3(2)9/h2H,1,5H2,(H3,6,7,8,9)
InChIKeyYBZUJSGPOVUZSQ-UHFFFAOYSA-N
XLogP-2.24
TPSA93.50 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 ≤ 5-2.24
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one (CID 12736612) is 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one is NC1=NCC(N)C(=O)N1.
What is the InChIKey of 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one?
The InChIKey is YBZUJSGPOVUZSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H8N4O/c5-2-1-7-4(6)8-3(2)9/h2H,1,5H2,(H3,6,7,8,9).
What are the key properties of 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one?
2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one has a molecular weight of 128.13 g/mol, XLogP of -2.24, 0 rotatable bonds, 3 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4,5-dihydro-1H-pyrimidin-6-one is sourced from PubChem (CID 12736612), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).