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

C18H24N2O2 — CID 70977700

IUPAC3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol
SMILESCc1ccc(CC2=NC(O)=C(O)CN2C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-7-9-14(10-8-13)11-17-19-18(22)16(21)12-20(17)15-5-3-2-4-6-15/h7-10,15,21-22H,2-6,11-12H2,1H3
InChIKeyDCBYOLOBGHOEQW-UHFFFAOYSA-N
MW300.40 g/mol
LogP3.87
Rot. Bonds3

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

3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol (PubChem CID 70977700) has the molecular formula C18H24N2O2 and a molecular weight of 300.40 g/mol. Its IUPAC name is 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol.

Molecular Properties

Compound Name3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol
PubChem CID70977700
Molecular FormulaC18H24N2O2
Molecular Weight300.40 g/mol
Exact Mass300.18
IUPAC Name3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol
SMILESCc1ccc(CC2=NC(O)=C(O)CN2C2CCCCC2)cc1
InChIInChI=1S/C18H24N2O2/c1-13-7-9-14(10-8-13)11-17-19-18(22)16(21)12-20(17)15-5-3-2-4-6-15/h7-10,15,21-22H,2-6,11-12H2,1H3
InChIKeyDCBYOLOBGHOEQW-UHFFFAOYSA-N
XLogP3.87
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.40
LogP ≤ 53.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol?
The IUPAC name of 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol (CID 70977700) is 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol.
What is the SMILES notation for 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol?
The canonical SMILES for 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol is Cc1ccc(CC2=NC(O)=C(O)CN2C2CCCCC2)cc1.
What is the InChIKey of 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol?
The InChIKey is DCBYOLOBGHOEQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N2O2/c1-13-7-9-14(10-8-13)11-17-19-18(22)16(21)12-20(17)15-5-3-2-4-6-15/h7-10,15,21-22H,2-6,11-12H2,1H3.
What are the key properties of 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol?
3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol has a molecular weight of 300.40 g/mol, XLogP of 3.87, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclohexyl-2-[(4-methylphenyl)methyl]-4H-pyrimidine-5,6-diol is sourced from PubChem (CID 70977700), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).