1,4-diaminopyrimidin-2-one

C4H6N4O — CID 15101965

IUPAC1,4-diaminopyrimidin-2-one
SMILESNc1ccn(N)c(=O)n1
InChIInChI=1S/C4H6N4O/c5-3-1-2-8(6)4(9)7-3/h1-2H,6H2,(H2,5,7,9)
InChIKeyKDXVHZYQDLWWGJ-UHFFFAOYSA-N
MW126.12 g/mol
LogP-1.46
Rot. Bonds

About 1,4-diaminopyrimidin-2-one

1,4-diaminopyrimidin-2-one (PubChem CID 15101965) has the molecular formula C4H6N4O and a molecular weight of 126.12 g/mol. Its IUPAC name is 1,4-diaminopyrimidin-2-one.

Molecular Properties

Compound Name1,4-diaminopyrimidin-2-one
PubChem CID15101965
Molecular FormulaC4H6N4O
Molecular Weight126.12 g/mol
Exact Mass126.05
IUPAC Name1,4-diaminopyrimidin-2-one
SMILESNc1ccn(N)c(=O)n1
InChIInChI=1S/C4H6N4O/c5-3-1-2-8(6)4(9)7-3/h1-2H,6H2,(H2,5,7,9)
InChIKeyKDXVHZYQDLWWGJ-UHFFFAOYSA-N
XLogP-1.46
TPSA86.93 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.12
LogP ≤ 5-1.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1,4-diaminopyrimidin-2-one?
The IUPAC name of 1,4-diaminopyrimidin-2-one (CID 15101965) is 1,4-diaminopyrimidin-2-one.
What is the SMILES notation for 1,4-diaminopyrimidin-2-one?
The canonical SMILES for 1,4-diaminopyrimidin-2-one is Nc1ccn(N)c(=O)n1.
What is the InChIKey of 1,4-diaminopyrimidin-2-one?
The InChIKey is KDXVHZYQDLWWGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H6N4O/c5-3-1-2-8(6)4(9)7-3/h1-2H,6H2,(H2,5,7,9).
What are the key properties of 1,4-diaminopyrimidin-2-one?
1,4-diaminopyrimidin-2-one has a molecular weight of 126.12 g/mol, XLogP of -1.46, 0 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,4-diaminopyrimidin-2-one is sourced from PubChem (CID 15101965), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).