5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol

C9H16N2O — CID 173445037

IUPAC5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol
SMILESCCCC1=NCC(CC)=C(O)N1
InChIInChI=1S/C9H16N2O/c1-3-5-8-10-6-7(4-2)9(12)11-8/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyYKTVSJPJXKNPMF-UHFFFAOYSA-N
MW168.24 g/mol
LogP1.97
Rot. Bonds3

About 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol

5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol (PubChem CID 173445037) has the molecular formula C9H16N2O and a molecular weight of 168.24 g/mol. Its IUPAC name is 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol.

Molecular Properties

Compound Name5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol
PubChem CID173445037
Molecular FormulaC9H16N2O
Molecular Weight168.24 g/mol
Exact Mass168.13
IUPAC Name5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol
SMILESCCCC1=NCC(CC)=C(O)N1
InChIInChI=1S/C9H16N2O/c1-3-5-8-10-6-7(4-2)9(12)11-8/h12H,3-6H2,1-2H3,(H,10,11)
InChIKeyYKTVSJPJXKNPMF-UHFFFAOYSA-N
XLogP1.97
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500168.24
LogP ≤ 51.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol?
The IUPAC name of 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol (CID 173445037) is 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol.
What is the SMILES notation for 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol?
The canonical SMILES for 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol is CCCC1=NCC(CC)=C(O)N1.
What is the InChIKey of 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol?
The InChIKey is YKTVSJPJXKNPMF-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H16N2O/c1-3-5-8-10-6-7(4-2)9(12)11-8/h12H,3-6H2,1-2H3,(H,10,11).
What are the key properties of 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol?
5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol has a molecular weight of 168.24 g/mol, XLogP of 1.97, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5-ethyl-2-propyl-1,4-dihydropyrimidin-6-ol is sourced from PubChem (CID 173445037), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).