2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one

C4H7N5O2 — CID 154042915

IUPAC2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one
SMILESNC1=NC(N)NC(=O)C1=NO
InChIInChI=1S/C4H7N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h4,11H,6H2,(H2,5,7)(H,8,10)
InChIKeyXUKSDXONPISDKD-UHFFFAOYSA-N
MW157.13 g/mol
LogP-2.45
Rot. Bonds

About 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one

2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one (PubChem CID 154042915) has the molecular formula C4H7N5O2 and a molecular weight of 157.13 g/mol. Its IUPAC name is 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one.

Molecular Properties

Compound Name2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one
PubChem CID154042915
Molecular FormulaC4H7N5O2
Molecular Weight157.13 g/mol
Exact Mass157.06
IUPAC Name2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one
SMILESNC1=NC(N)NC(=O)C1=NO
InChIInChI=1S/C4H7N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h4,11H,6H2,(H2,5,7)(H,8,10)
InChIKeyXUKSDXONPISDKD-UHFFFAOYSA-N
XLogP-2.45
TPSA126.09 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds
Heavy Atoms11
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500157.13
LogP ≤ 5-2.45
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'oxime_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one?
The IUPAC name of 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one (CID 154042915) is 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one.
What is the SMILES notation for 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one?
The canonical SMILES for 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one is NC1=NC(N)NC(=O)C1=NO.
What is the InChIKey of 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one?
The InChIKey is XUKSDXONPISDKD-UHFFFAOYSA-N. The full InChI is InChI=1S/C4H7N5O2/c5-2-1(9-11)3(10)8-4(6)7-2/h4,11H,6H2,(H2,5,7)(H,8,10).
What are the key properties of 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one?
2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one has a molecular weight of 157.13 g/mol, XLogP of -2.45, 0 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,4-diamino-5-hydroxyimino-1,2-dihydropyrimidin-6-one is sourced from PubChem (CID 154042915), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).