3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one

C14H22N2O2 — CID 135759140

IUPAC3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1CCN=C(C2=C(O)CC(C(C)C)CC2=O)N1
InChIInChI=1S/C14H22N2O2/c1-8(2)10-6-11(17)13(12(18)7-10)14-15-5-4-9(3)16-14/h8-10,17H,4-7H2,1-3H3,(H,15,16)
InChIKeySRDUYUISSURQDZ-UHFFFAOYSA-N
MW250.34 g/mol
LogP2.21
Rot. Bonds2

About 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one

3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one (PubChem CID 135759140) has the molecular formula C14H22N2O2 and a molecular weight of 250.34 g/mol. Its IUPAC name is 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one.

Molecular Properties

Compound Name3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one
PubChem CID135759140
Molecular FormulaC14H22N2O2
Molecular Weight250.34 g/mol
Exact Mass250.17
IUPAC Name3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one
SMILESCC1CCN=C(C2=C(O)CC(C(C)C)CC2=O)N1
InChIInChI=1S/C14H22N2O2/c1-8(2)10-6-11(17)13(12(18)7-10)14-15-5-4-9(3)16-14/h8-10,17H,4-7H2,1-3H3,(H,15,16)
InChIKeySRDUYUISSURQDZ-UHFFFAOYSA-N
XLogP2.21
TPSA61.69 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500250.34
LogP ≤ 52.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one with MolForge

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Related Compounds

3-Hydroxy-5,5-dimethyl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)cyclohex-2-en-1-one
CID 135413005
2-Imidazolidin-2-ylidene-5,5-dimethylcyclohexane-1,3-dione
CID 135499053
3-Hydroxy-5,5-dimethyl-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)cyclohex-2-en-1-one
CID 135759136
5-(1-Methylethyl)-2-(2-imidazolidinylidene)-1,3-cyclohexanedione
CID 135759137
5-butan-2-yl-2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxycyclohex-2-en-1-one
CID 135759145
5-Butan-2-yl-3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)cyclohex-2-en-1-one
CID 135759147
2-(6-Ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-3-hydroxy-5-propan-2-ylcyclohex-2-en-1-one
CID 135759148
2-(4,5-dihydro-1H-imidazol-2-yl)-3-hydroxy-5-methyl-5-propan-2-ylcyclohex-2-en-1-one
CID 135759150
2-(6-Ethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-3-hydroxy-5,5-dimethylcyclohex-2-en-1-one
CID 135759162
3-Hydroxy-5-methyl-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one
CID 135759164
2-(4,6-Dimethyl-1,4,5,6-tetrahydropyrimidin-2-yl)-3-hydroxy-5-propan-2-ylcyclohex-2-en-1-one
CID 136429053
3-Hydroxy-5-propan-2-yl-2-(1,4,5,6-tetrahydropyrimidin-2-yl)cyclohex-2-en-1-one
CID 136448982

Frequently Asked Questions

What is the IUPAC name of 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one?
The IUPAC name of 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one (CID 135759140) is 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one.
What is the SMILES notation for 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one?
The canonical SMILES for 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one is CC1CCN=C(C2=C(O)CC(C(C)C)CC2=O)N1.
What is the InChIKey of 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one?
The InChIKey is SRDUYUISSURQDZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H22N2O2/c1-8(2)10-6-11(17)13(12(18)7-10)14-15-5-4-9(3)16-14/h8-10,17H,4-7H2,1-3H3,(H,15,16).
What are the key properties of 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one?
3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one has a molecular weight of 250.34 g/mol, XLogP of 2.21, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxy-2-(6-methyl-1,4,5,6-tetrahydropyrimidin-2-yl)-5-propan-2-ylcyclohex-2-en-1-one is sourced from PubChem (CID 135759140), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).