3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol

C17H22N2O2 — CID 70977825

IUPAC3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol
SMILESCc1cccc(C2=NC(O)=C(O)CN2C2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(10-12)16-18-17(21)15(20)11-19(16)14-8-3-2-4-9-14/h5-7,10,14,20-21H,2-4,8-9,11H2,1H3
InChIKeyYBRZGRCEZQOOEP-UHFFFAOYSA-N
MW286.38 g/mol
LogP3.68
Rot. Bonds2

About 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol

3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol (PubChem CID 70977825) has the molecular formula C17H22N2O2 and a molecular weight of 286.38 g/mol. Its IUPAC name is 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol.

Molecular Properties

Compound Name3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol
PubChem CID70977825
Molecular FormulaC17H22N2O2
Molecular Weight286.38 g/mol
Exact Mass286.17
IUPAC Name3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol
SMILESCc1cccc(C2=NC(O)=C(O)CN2C2CCCCC2)c1
InChIInChI=1S/C17H22N2O2/c1-12-6-5-7-13(10-12)16-18-17(21)15(20)11-19(16)14-8-3-2-4-9-14/h5-7,10,14,20-21H,2-4,8-9,11H2,1H3
InChIKeyYBRZGRCEZQOOEP-UHFFFAOYSA-N
XLogP3.68
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500286.38
LogP ≤ 53.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
The IUPAC name of 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol (CID 70977825) is 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol.
What is the SMILES notation for 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
The canonical SMILES for 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol is Cc1cccc(C2=NC(O)=C(O)CN2C2CCCCC2)c1.
What is the InChIKey of 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
The InChIKey is YBRZGRCEZQOOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N2O2/c1-12-6-5-7-13(10-12)16-18-17(21)15(20)11-19(16)14-8-3-2-4-9-14/h5-7,10,14,20-21H,2-4,8-9,11H2,1H3.
What are the key properties of 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol has a molecular weight of 286.38 g/mol, XLogP of 3.68, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol is sourced from PubChem (CID 70977825), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).