6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione

C6H9N3O3 — CID 68544782

IUPAC6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione
SMILESCC(O)n1c(=O)cc(N)[nH]c1=O
InChIInChI=1S/C6H9N3O3/c1-3(10)9-5(11)2-4(7)8-6(9)12/h2-3,10H,7H2,1H3,(H,8,12)
InChIKeyVRXVBWVEXPWDCT-UHFFFAOYSA-N
MW171.16 g/mol
LogP-1.37
Rot. Bonds1

About 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione

6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione (PubChem CID 68544782) has the molecular formula C6H9N3O3 and a molecular weight of 171.16 g/mol. Its IUPAC name is 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione.

Molecular Properties

Compound Name6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione
PubChem CID68544782
Molecular FormulaC6H9N3O3
Molecular Weight171.16 g/mol
Exact Mass171.06
IUPAC Name6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione
SMILESCC(O)n1c(=O)cc(N)[nH]c1=O
InChIInChI=1S/C6H9N3O3/c1-3(10)9-5(11)2-4(7)8-6(9)12/h2-3,10H,7H2,1H3,(H,8,12)
InChIKeyVRXVBWVEXPWDCT-UHFFFAOYSA-N
XLogP-1.37
TPSA101.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500171.16
LogP ≤ 5-1.37
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The IUPAC name of 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione (CID 68544782) is 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione.
What is the SMILES notation for 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The canonical SMILES for 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione is CC(O)n1c(=O)cc(N)[nH]c1=O.
What is the InChIKey of 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione?
The InChIKey is VRXVBWVEXPWDCT-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H9N3O3/c1-3(10)9-5(11)2-4(7)8-6(9)12/h2-3,10H,7H2,1H3,(H,8,12).
What are the key properties of 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione?
6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione has a molecular weight of 171.16 g/mol, XLogP of -1.37, 1 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-amino-3-(1-hydroxyethyl)-1H-pyrimidine-2,4-dione is sourced from PubChem (CID 68544782), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).