2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one

C7H14N6O3 — CID 137199084

IUPAC2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one
SMILESNNc1c(NCOCCO)nc(N)[nH]c1=O
InChIInChI=1S/C7H14N6O3/c8-7-11-5(10-3-16-2-1-14)4(13-9)6(15)12-7/h13-14H,1-3,9H2,(H4,8,10,11,12,15)
InChIKeyAAGZTYBKQBSNLG-UHFFFAOYSA-N
MW230.23 g/mol
LogP-1.98
Rot. Bonds6

About 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one

2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one (PubChem CID 137199084) has the molecular formula C7H14N6O3 and a molecular weight of 230.23 g/mol. Its IUPAC name is 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one
PubChem CID137199084
Molecular FormulaC7H14N6O3
Molecular Weight230.23 g/mol
Exact Mass230.11
IUPAC Name2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one
SMILESNNc1c(NCOCCO)nc(N)[nH]c1=O
InChIInChI=1S/C7H14N6O3/c8-7-11-5(10-3-16-2-1-14)4(13-9)6(15)12-7/h13-14H,1-3,9H2,(H4,8,10,11,12,15)
InChIKeyAAGZTYBKQBSNLG-UHFFFAOYSA-N
XLogP-1.98
TPSA151.31 Ų
H-Bond Donors6
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500230.23
LogP ≤ 5-1.98
H-Bond Donors ≤ 56
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'alert_name': 'het-C-het_not_in_ring', 'substructure': 'N/A'}, {'alert_name': 'hydrazine', '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-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one (CID 137199084) is 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one is NNc1c(NCOCCO)nc(N)[nH]c1=O.
What is the InChIKey of 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one?
The InChIKey is AAGZTYBKQBSNLG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H14N6O3/c8-7-11-5(10-3-16-2-1-14)4(13-9)6(15)12-7/h13-14H,1-3,9H2,(H4,8,10,11,12,15).
What are the key properties of 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one?
2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one has a molecular weight of 230.23 g/mol, XLogP of -1.98, 6 rotatable bonds, 6 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-5-hydrazinyl-4-(2-hydroxyethoxymethylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 137199084), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).