2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one

C7H11N5O3 — CID 135987606

IUPAC2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCCCO)c(N=O)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c8-7-10-5(9-2-1-3-13)4(12-15)6(14)11-7/h13H,1-3H2,(H4,8,9,10,11,14)
InChIKeyOPEIQGRBZHLMFJ-UHFFFAOYSA-N
MW213.20 g/mol
LogP-0.46
Rot. Bonds5

About 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one

2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one (PubChem CID 135987606) has the molecular formula C7H11N5O3 and a molecular weight of 213.20 g/mol. Its IUPAC name is 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one
PubChem CID135987606
Molecular FormulaC7H11N5O3
Molecular Weight213.20 g/mol
Exact Mass213.09
IUPAC Name2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one
SMILESNc1nc(NCCCO)c(N=O)c(=O)[nH]1
InChIInChI=1S/C7H11N5O3/c8-7-10-5(9-2-1-3-13)4(12-15)6(14)11-7/h13H,1-3H2,(H4,8,9,10,11,14)
InChIKeyOPEIQGRBZHLMFJ-UHFFFAOYSA-N
XLogP-0.46
TPSA133.46 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500213.20
LogP ≤ 5-0.46
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one (CID 135987606) is 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one is Nc1nc(NCCCO)c(N=O)c(=O)[nH]1.
What is the InChIKey of 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one?
The InChIKey is OPEIQGRBZHLMFJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N5O3/c8-7-10-5(9-2-1-3-13)4(12-15)6(14)11-7/h13H,1-3H2,(H4,8,9,10,11,14).
What are the key properties of 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one?
2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one has a molecular weight of 213.20 g/mol, XLogP of -0.46, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(3-hydroxypropylamino)-5-nitroso-1H-pyrimidin-6-one is sourced from PubChem (CID 135987606), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).