2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol

C6H12N2O — CID 122635109

IUPAC2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol
SMILESCCC1NC=CC(O)N1
InChIInChI=1S/C6H12N2O/c1-2-5-7-4-3-6(9)8-5/h3-9H,2H2,1H3
InChIKeyXBYZHZHQDOCCBG-UHFFFAOYSA-N
MW128.17 g/mol
LogP-0.25
Rot. Bonds1

About 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol

2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol (PubChem CID 122635109) has the molecular formula C6H12N2O and a molecular weight of 128.17 g/mol. Its IUPAC name is 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol.

Molecular Properties

Compound Name2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol
PubChem CID122635109
Molecular FormulaC6H12N2O
Molecular Weight128.17 g/mol
Exact Mass128.09
IUPAC Name2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol
SMILESCCC1NC=CC(O)N1
InChIInChI=1S/C6H12N2O/c1-2-5-7-4-3-6(9)8-5/h3-9H,2H2,1H3
InChIKeyXBYZHZHQDOCCBG-UHFFFAOYSA-N
XLogP-0.25
TPSA44.29 Ų
H-Bond Donors3
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500128.17
LogP ≤ 5-0.25
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol?
The IUPAC name of 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol (CID 122635109) is 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol.
What is the SMILES notation for 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol?
The canonical SMILES for 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol is CCC1NC=CC(O)N1.
What is the InChIKey of 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol?
The InChIKey is XBYZHZHQDOCCBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H12N2O/c1-2-5-7-4-3-6(9)8-5/h3-9H,2H2,1H3.
What are the key properties of 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol?
2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol has a molecular weight of 128.17 g/mol, XLogP of -0.25, 1 rotatable bonds, 3 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-1,2,3,4-tetrahydropyrimidin-4-ol is sourced from PubChem (CID 122635109), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).