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

C7H12N4O2 — CID 20570038

IUPAC5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESCC(O)CNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-4(12)2-9-7-10-3-5(8)6(13)11-7/h3-4,12H,2,8H2,1H3,(H2,9,10,11,13)
InChIKeyDBGWEIOQYBCRFA-UHFFFAOYSA-N
MW184.20 g/mol
LogP-0.86
Rot. Bonds3

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

5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one (PubChem CID 20570038) has the molecular formula C7H12N4O2 and a molecular weight of 184.20 g/mol. Its IUPAC name is 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one
PubChem CID20570038
Molecular FormulaC7H12N4O2
Molecular Weight184.20 g/mol
Exact Mass184.10
IUPAC Name5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one
SMILESCC(O)CNc1ncc(N)c(=O)[nH]1
InChIInChI=1S/C7H12N4O2/c1-4(12)2-9-7-10-3-5(8)6(13)11-7/h3-4,12H,2,8H2,1H3,(H2,9,10,11,13)
InChIKeyDBGWEIOQYBCRFA-UHFFFAOYSA-N
XLogP-0.86
TPSA104.03 Ų
H-Bond Donors4
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500184.20
LogP ≤ 5-0.86
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The IUPAC name of 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one (CID 20570038) is 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one.
What is the SMILES notation for 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The canonical SMILES for 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one is CC(O)CNc1ncc(N)c(=O)[nH]1.
What is the InChIKey of 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
The InChIKey is DBGWEIOQYBCRFA-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H12N4O2/c1-4(12)2-9-7-10-3-5(8)6(13)11-7/h3-4,12H,2,8H2,1H3,(H2,9,10,11,13).
What are the key properties of 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one?
5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one has a molecular weight of 184.20 g/mol, XLogP of -0.86, 3 rotatable bonds, 4 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-2-(2-hydroxypropylamino)-1H-pyrimidin-6-one is sourced from PubChem (CID 20570038), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).