2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol

C16H20N2O — CID 116902051

IUPAC2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol
SMILESCc1cc(C)c(-c2ccnc(C(C)(C)O)n2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-10-8-11(2)14(12(3)9-10)13-6-7-17-15(18-13)16(4,5)19/h6-9,19H,1-5H3
InChIKeyOISGWEYZXNTTRB-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds2

About 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol

2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol (PubChem CID 116902051) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol
PubChem CID116902051
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol
SMILESCc1cc(C)c(-c2ccnc(C(C)(C)O)n2)c(C)c1
InChIInChI=1S/C16H20N2O/c1-10-8-11(2)14(12(3)9-10)13-6-7-17-15(18-13)16(4,5)19/h6-9,19H,1-5H3
InChIKeyOISGWEYZXNTTRB-UHFFFAOYSA-N
XLogP3.30
TPSA46.01 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500256.35
LogP ≤ 53.30
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol (CID 116902051) is 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol is Cc1cc(C)c(-c2ccnc(C(C)(C)O)n2)c(C)c1.
What is the InChIKey of 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol?
The InChIKey is OISGWEYZXNTTRB-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-8-11(2)14(12(3)9-10)13-6-7-17-15(18-13)16(4,5)19/h6-9,19H,1-5H3.
What are the key properties of 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol?
2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol has a molecular weight of 256.35 g/mol, XLogP of 3.30, 2 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-(2,4,6-trimethylphenyl)pyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 116902051), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).