5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione

C8H13N3O3 — CID 151515415

IUPAC5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CCO)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O3/c1-10-5(3-4-12)6(9)7(13)11(2)8(10)14/h12H,3-4,9H2,1-2H3
InChIKeyPTJAPWLNNUVSND-UHFFFAOYSA-N
MW199.21 g/mol
LogP-1.80
Rot. Bonds2

About 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione

5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione (PubChem CID 151515415) has the molecular formula C8H13N3O3 and a molecular weight of 199.21 g/mol. Its IUPAC name is 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione.

Molecular Properties

Compound Name5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione
PubChem CID151515415
Molecular FormulaC8H13N3O3
Molecular Weight199.21 g/mol
Exact Mass199.10
IUPAC Name5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione
SMILESCn1c(CCO)c(N)c(=O)n(C)c1=O
InChIInChI=1S/C8H13N3O3/c1-10-5(3-4-12)6(9)7(13)11(2)8(10)14/h12H,3-4,9H2,1-2H3
InChIKeyPTJAPWLNNUVSND-UHFFFAOYSA-N
XLogP-1.80
TPSA90.25 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.21
LogP ≤ 5-1.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione?
The IUPAC name of 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione (CID 151515415) is 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione.
What is the SMILES notation for 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione?
The canonical SMILES for 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione is Cn1c(CCO)c(N)c(=O)n(C)c1=O.
What is the InChIKey of 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione?
The InChIKey is PTJAPWLNNUVSND-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H13N3O3/c1-10-5(3-4-12)6(9)7(13)11(2)8(10)14/h12H,3-4,9H2,1-2H3.
What are the key properties of 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione?
5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione has a molecular weight of 199.21 g/mol, XLogP of -1.80, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-amino-6-(2-hydroxyethyl)-1,3-dimethylpyrimidine-2,4-dione is sourced from PubChem (CID 151515415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).