2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one

C6H9N5O3 — CID 135444420

IUPAC2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCCO)c(N=O)c(=O)[nH]1
InChIInChI=1S/C6H9N5O3/c7-6-9-4(8-1-2-12)3(11-14)5(13)10-6/h12H,1-2H2,(H4,7,8,9,10,13)
InChIKeyOBVKXGQBGZSZLF-UHFFFAOYSA-N
MW199.17 g/mol
LogP-0.85
Rot. Bonds4

About 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one

2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135444420) has the molecular formula C6H9N5O3 and a molecular weight of 199.17 g/mol. Its IUPAC name is 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135444420
Molecular FormulaC6H9N5O3
Molecular Weight199.17 g/mol
Exact Mass199.07
IUPAC Name2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCCO)c(N=O)c(=O)[nH]1
InChIInChI=1S/C6H9N5O3/c7-6-9-4(8-1-2-12)3(11-14)5(13)10-6/h12H,1-2H2,(H4,7,8,9,10,13)
InChIKeyOBVKXGQBGZSZLF-UHFFFAOYSA-N
XLogP-0.85
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.17
LogP ≤ 5-0.85
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135444420) is 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one is Nc1nc(NCCO)c(N=O)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is OBVKXGQBGZSZLF-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N5O3/c7-6-9-4(8-1-2-12)3(11-14)5(13)10-6/h12H,1-2H2,(H4,7,8,9,10,13).
What are the key properties of 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 199.17 g/mol, XLogP of -0.85, 4 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2-hydroxyethylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135444420), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).