pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone

C14H14N2O — CID 102923150

IUPACpyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cncnc2)cc1C
InChIInChI=1S/C14H14N2O/c1-9-4-11(3)13(5-10(9)2)14(17)12-6-15-8-16-7-12/h4-8H,1-3H3
InChIKeyHXSCUKWEROALBD-UHFFFAOYSA-N
MW226.28 g/mol
LogP2.63
Rot. Bonds2

About pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone

pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone (PubChem CID 102923150) has the molecular formula C14H14N2O and a molecular weight of 226.28 g/mol. Its IUPAC name is pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone.

Molecular Properties

Compound Namepyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone
PubChem CID102923150
Molecular FormulaC14H14N2O
Molecular Weight226.28 g/mol
Exact Mass226.11
IUPAC Namepyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone
SMILESCc1cc(C)c(C(=O)c2cncnc2)cc1C
InChIInChI=1S/C14H14N2O/c1-9-4-11(3)13(5-10(9)2)14(17)12-6-15-8-16-7-12/h4-8H,1-3H3
InChIKeyHXSCUKWEROALBD-UHFFFAOYSA-N
XLogP2.63
TPSA42.85 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500226.28
LogP ≤ 52.63
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

(4-methyl-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 114877527
(4-bromo-3-methylphenyl)-pyrimidin-5-ylmethanone
CID 114965823
(2-methylfuran-3-yl)-pyrimidin-5-ylmethanone
CID 104789316
(3,4-difluorophenyl)-(2,4,5-trimethylphenyl)methanone
CID 64985055
(5-methylpyrazin-2-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105704
(5-bromothiophen-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 105105721
thieno[3,2-b]pyridin-6-yl-(2,4,5-trimethylphenyl)methanone
CID 81147088
N-methylpyrimidine-5-carboxamide
CID 23534458
(2-amino-4-methoxyphenyl)-pyrimidin-5-ylmethanone
CID 116602325
N-(3,5-dimethylphenyl)pyrimidine-5-carboxamide
CID 83408824
(5-chloro-3-pyridinyl)-pyrimidin-5-ylmethanone
CID 131142428
(2-chlorofuran-3-yl)-(2,4,5-trimethylphenyl)methanone
CID 106691062

Frequently Asked Questions

What is the IUPAC name of pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone?
The IUPAC name of pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone (CID 102923150) is pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone.
What is the SMILES notation for pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone?
The canonical SMILES for pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone is Cc1cc(C)c(C(=O)c2cncnc2)cc1C.
What is the InChIKey of pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone?
The InChIKey is HXSCUKWEROALBD-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N2O/c1-9-4-11(3)13(5-10(9)2)14(17)12-6-15-8-16-7-12/h4-8H,1-3H3.
What are the key properties of pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone?
pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone has a molecular weight of 226.28 g/mol, XLogP of 2.63, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for pyrimidin-5-yl-(2,4,5-trimethylphenyl)methanone is sourced from PubChem (CID 102923150), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).