2,5-dimethyl-1,4-dihydropyrimidin-6-ol

C6H10N2O — CID 173444876

IUPAC2,5-dimethyl-1,4-dihydropyrimidin-6-ol
SMILESCC1=NCC(C)=C(O)N1
InChIInChI=1S/C6H10N2O/c1-4-3-7-5(2)8-6(4)9/h9H,3H2,1-2H3,(H,7,8)
InChIKeyZEHGFCODJCANKZ-UHFFFAOYSA-N
MW126.16 g/mol
LogP0.80
Rot. Bonds

About 2,5-dimethyl-1,4-dihydropyrimidin-6-ol

2,5-dimethyl-1,4-dihydropyrimidin-6-ol (PubChem CID 173444876) has the molecular formula C6H10N2O and a molecular weight of 126.16 g/mol. Its IUPAC name is 2,5-dimethyl-1,4-dihydropyrimidin-6-ol.

Molecular Properties

Compound Name2,5-dimethyl-1,4-dihydropyrimidin-6-ol
PubChem CID173444876
Molecular FormulaC6H10N2O
Molecular Weight126.16 g/mol
Exact Mass126.08
IUPAC Name2,5-dimethyl-1,4-dihydropyrimidin-6-ol
SMILESCC1=NCC(C)=C(O)N1
InChIInChI=1S/C6H10N2O/c1-4-3-7-5(2)8-6(4)9/h9H,3H2,1-2H3,(H,7,8)
InChIKeyZEHGFCODJCANKZ-UHFFFAOYSA-N
XLogP0.80
TPSA44.62 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms9
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500126.16
LogP ≤ 50.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dimethyl-1,4-dihydropyrimidin-6-ol?
The IUPAC name of 2,5-dimethyl-1,4-dihydropyrimidin-6-ol (CID 173444876) is 2,5-dimethyl-1,4-dihydropyrimidin-6-ol.
What is the SMILES notation for 2,5-dimethyl-1,4-dihydropyrimidin-6-ol?
The canonical SMILES for 2,5-dimethyl-1,4-dihydropyrimidin-6-ol is CC1=NCC(C)=C(O)N1.
What is the InChIKey of 2,5-dimethyl-1,4-dihydropyrimidin-6-ol?
The InChIKey is ZEHGFCODJCANKZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H10N2O/c1-4-3-7-5(2)8-6(4)9/h9H,3H2,1-2H3,(H,7,8).
What are the key properties of 2,5-dimethyl-1,4-dihydropyrimidin-6-ol?
2,5-dimethyl-1,4-dihydropyrimidin-6-ol has a molecular weight of 126.16 g/mol, XLogP of 0.80, 0 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dimethyl-1,4-dihydropyrimidin-6-ol is sourced from PubChem (CID 173444876), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).