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

C15H18N2O2 — CID 70977899

IUPAC3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol
SMILESCc1cccc(C2=NC(O)=C(O)CN2C2CCC2)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-2-5-11(8-10)14-16-15(19)13(18)9-17(14)12-6-3-7-12/h2,4-5,8,12,18-19H,3,6-7,9H2,1H3
InChIKeyBTUMPAQYWCAKJI-UHFFFAOYSA-N
MW258.32 g/mol
LogP2.89
Rot. Bonds2

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

3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol (PubChem CID 70977899) has the molecular formula C15H18N2O2 and a molecular weight of 258.32 g/mol. Its IUPAC name is 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol.

Molecular Properties

Compound Name3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol
PubChem CID70977899
Molecular FormulaC15H18N2O2
Molecular Weight258.32 g/mol
Exact Mass258.14
IUPAC Name3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol
SMILESCc1cccc(C2=NC(O)=C(O)CN2C2CCC2)c1
InChIInChI=1S/C15H18N2O2/c1-10-4-2-5-11(8-10)14-16-15(19)13(18)9-17(14)12-6-3-7-12/h2,4-5,8,12,18-19H,3,6-7,9H2,1H3
InChIKeyBTUMPAQYWCAKJI-UHFFFAOYSA-N
XLogP2.89
TPSA56.06 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.32
LogP ≤ 52.89
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
The IUPAC name of 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol (CID 70977899) is 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol.
What is the SMILES notation for 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
The canonical SMILES for 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol is Cc1cccc(C2=NC(O)=C(O)CN2C2CCC2)c1.
What is the InChIKey of 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
The InChIKey is BTUMPAQYWCAKJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N2O2/c1-10-4-2-5-11(8-10)14-16-15(19)13(18)9-17(14)12-6-3-7-12/h2,4-5,8,12,18-19H,3,6-7,9H2,1H3.
What are the key properties of 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol?
3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol has a molecular weight of 258.32 g/mol, XLogP of 2.89, 2 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-cyclobutyl-2-(3-methylphenyl)-4H-pyrimidine-5,6-diol is sourced from PubChem (CID 70977899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).