(4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol

C14H16N2O — CID 63989957

IUPAC(4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol
SMILESCC(C)c1ccc(C(O)c2ccncn2)cc1
InChIInChI=1S/C14H16N2O/c1-10(2)11-3-5-12(6-4-11)14(17)13-7-8-15-9-16-13/h3-10,14,17H,1-2H3
InChIKeyLCMXUWCPNZURCN-UHFFFAOYSA-N
MW228.29 g/mol
LogP2.68
Rot. Bonds3

About (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol

(4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol (PubChem CID 63989957) has the molecular formula C14H16N2O and a molecular weight of 228.29 g/mol. Its IUPAC name is (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol.

Molecular Properties

Compound Name(4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol
PubChem CID63989957
Molecular FormulaC14H16N2O
Molecular Weight228.29 g/mol
Exact Mass228.13
IUPAC Name(4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol
SMILESCC(C)c1ccc(C(O)c2ccncn2)cc1
InChIInChI=1S/C14H16N2O/c1-10(2)11-3-5-12(6-4-11)14(17)13-7-8-15-9-16-13/h3-10,14,17H,1-2H3
InChIKeyLCMXUWCPNZURCN-UHFFFAOYSA-N
XLogP2.68
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500228.29
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Analyze (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol?
The IUPAC name of (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol (CID 63989957) is (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol.
What is the SMILES notation for (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol?
The canonical SMILES for (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol is CC(C)c1ccc(C(O)c2ccncn2)cc1.
What is the InChIKey of (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol?
The InChIKey is LCMXUWCPNZURCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16N2O/c1-10(2)11-3-5-12(6-4-11)14(17)13-7-8-15-9-16-13/h3-10,14,17H,1-2H3.
What are the key properties of (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol?
(4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol has a molecular weight of 228.29 g/mol, XLogP of 2.68, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (4-propan-2-ylphenyl)-pyrimidin-4-ylmethanol is sourced from PubChem (CID 63989957), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).