2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one

C7H11N3O4 — CID 23525157

IUPAC2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one
SMILESNc1nc(OCC(O)CO)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O4/c8-7-9-5(13)1-6(10-7)14-3-4(12)2-11/h1,4,11-12H,2-3H2,(H3,8,9,10,13)
InChIKeyFHBPQKBBYHYZKB-UHFFFAOYSA-N
MW201.18 g/mol
LogP-1.92
Rot. Bonds4

About 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one

2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one (PubChem CID 23525157) has the molecular formula C7H11N3O4 and a molecular weight of 201.18 g/mol. Its IUPAC name is 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one
PubChem CID23525157
Molecular FormulaC7H11N3O4
Molecular Weight201.18 g/mol
Exact Mass201.07
IUPAC Name2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one
SMILESNc1nc(OCC(O)CO)cc(=O)[nH]1
InChIInChI=1S/C7H11N3O4/c8-7-9-5(13)1-6(10-7)14-3-4(12)2-11/h1,4,11-12H,2-3H2,(H3,8,9,10,13)
InChIKeyFHBPQKBBYHYZKB-UHFFFAOYSA-N
XLogP-1.92
TPSA121.46 Ų
H-Bond Donors4
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500201.18
LogP ≤ 5-1.92
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one?
The IUPAC name of 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one (CID 23525157) is 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one.
What is the SMILES notation for 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one?
The canonical SMILES for 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one is Nc1nc(OCC(O)CO)cc(=O)[nH]1.
What is the InChIKey of 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one?
The InChIKey is FHBPQKBBYHYZKB-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H11N3O4/c8-7-9-5(13)1-6(10-7)14-3-4(12)2-11/h1,4,11-12H,2-3H2,(H3,8,9,10,13).
What are the key properties of 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one?
2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one has a molecular weight of 201.18 g/mol, XLogP of -1.92, 4 rotatable bonds, 4 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-4-(2,3-dihydroxypropoxy)-1H-pyrimidin-6-one is sourced from PubChem (CID 23525157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).