2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol

C16H20N2O — CID 116895699

IUPAC2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C(C)(C)O)n1
InChIInChI=1S/C16H20N2O/c1-10-6-7-13(8-11(10)2)14-9-12(3)17-15(18-14)16(4,5)19/h6-9,19H,1-5H3
InChIKeyBQABPWIAYQHKHT-UHFFFAOYSA-N
MW256.35 g/mol
LogP3.30
Rot. Bonds2

About 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol

2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol (PubChem CID 116895699) has the molecular formula C16H20N2O and a molecular weight of 256.35 g/mol. Its IUPAC name is 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol.

Molecular Properties

Compound Name2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
PubChem CID116895699
Molecular FormulaC16H20N2O
Molecular Weight256.35 g/mol
Exact Mass256.16
IUPAC Name2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol
SMILESCc1cc(-c2ccc(C)c(C)c2)nc(C(C)(C)O)n1
InChIInChI=1S/C16H20N2O/c1-10-6-7-13(8-11(10)2)14-9-12(3)17-15(18-14)16(4,5)19/h6-9,19H,1-5H3
InChIKeyBQABPWIAYQHKHT-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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Related Compounds

2-[4-(3,4-difluorophenyl)-6-methylpyrimidin-2-yl]propan-2-ol
CID 116895713
4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 62481951
2-amino-1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]ethanol
CID 116895841
2-(2-chloroethyl)-4-(3,4-dimethylphenyl)-6-methylpyrimidine
CID 116893741
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanol
CID 116896010
4-tert-butyl-6-(3,4-dimethylphenyl)-2,3-dimethylpyridine;ethane
CID 145160600
2-[4-(3-bromo-4-methoxyphenyl)-6-methylpyrimidin-2-yl]propan-2-amine
CID 116892561
2-[2-(3,4-dimethylphenyl)-1,3-thiazol-4-yl]propan-2-ol
CID 116890539
[1-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]cyclopropyl]methanamine
CID 116896049
4-methyl-6-phenyl-2-(trifluoromethyl)pyrimidine
CID 116896751
2-chloro-4-(3-chloro-4-methylphenyl)-6-methylpyrimidine
CID 115504189
6-(3,4-dimethylphenyl)-2-methylimidazo[1,2-b]pyridazine
CID 116854838

Frequently Asked Questions

What is the IUPAC name of 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The IUPAC name of 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol (CID 116895699) is 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol.
What is the SMILES notation for 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The canonical SMILES for 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol is Cc1cc(-c2ccc(C)c(C)c2)nc(C(C)(C)O)n1.
What is the InChIKey of 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
The InChIKey is BQABPWIAYQHKHT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N2O/c1-10-6-7-13(8-11(10)2)14-9-12(3)17-15(18-14)16(4,5)19/h6-9,19H,1-5H3.
What are the key properties of 2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol?
2-[4-(3,4-dimethylphenyl)-6-methylpyrimidin-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-(3,4-dimethylphenyl)-6-methylpyrimidin-2-yl]propan-2-ol is sourced from PubChem (CID 116895699), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).