2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one

C6H11N5O2 — CID 135850745

IUPAC2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCC(O)Nc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H11N5O2/c1-2(12)9-4-3(7)5(13)11-6(8)10-4/h2,12H,7H2,1H3,(H4,8,9,10,11,13)
InChIKeyTWHLKSDPOBFYDT-UHFFFAOYSA-N
MW185.19 g/mol
LogP-1.32
Rot. Bonds2

About 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one

2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one (PubChem CID 135850745) has the molecular formula C6H11N5O2 and a molecular weight of 185.19 g/mol. Its IUPAC name is 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
PubChem CID135850745
Molecular FormulaC6H11N5O2
Molecular Weight185.19 g/mol
Exact Mass185.09
IUPAC Name2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one
SMILESCC(O)Nc1nc(N)[nH]c(=O)c1N
InChIInChI=1S/C6H11N5O2/c1-2(12)9-4-3(7)5(13)11-6(8)10-4/h2,12H,7H2,1H3,(H4,8,9,10,11,13)
InChIKeyTWHLKSDPOBFYDT-UHFFFAOYSA-N
XLogP-1.32
TPSA130.05 Ų
H-Bond Donors5
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500185.19
LogP ≤ 5-1.32
H-Bond Donors ≤ 55
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one (CID 135850745) is 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one is CC(O)Nc1nc(N)[nH]c(=O)c1N.
What is the InChIKey of 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
The InChIKey is TWHLKSDPOBFYDT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H11N5O2/c1-2(12)9-4-3(7)5(13)11-6(8)10-4/h2,12H,7H2,1H3,(H4,8,9,10,11,13).
What are the key properties of 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one?
2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one has a molecular weight of 185.19 g/mol, XLogP of -1.32, 2 rotatable bonds, 5 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-diamino-4-(1-hydroxyethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 135850745), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).