4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one

C16H18N2O — CID 136774590

IUPAC4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)c(-c2nc(C3CC3)cc(=O)[nH]2)cc1C
InChIInChI=1S/C16H18N2O/c1-9-6-11(3)13(7-10(9)2)16-17-14(12-4-5-12)8-15(19)18-16/h6-8,12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyDTPNJBGALKFKJS-UHFFFAOYSA-N
MW254.33 g/mol
LogP3.24
Rot. Bonds2

About 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one

4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one (PubChem CID 136774590) has the molecular formula C16H18N2O and a molecular weight of 254.33 g/mol. Its IUPAC name is 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one.

Molecular Properties

Compound Name4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
PubChem CID136774590
Molecular FormulaC16H18N2O
Molecular Weight254.33 g/mol
Exact Mass254.14
IUPAC Name4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one
SMILESCc1cc(C)c(-c2nc(C3CC3)cc(=O)[nH]2)cc1C
InChIInChI=1S/C16H18N2O/c1-9-6-11(3)13(7-10(9)2)16-17-14(12-4-5-12)8-15(19)18-16/h6-8,12H,4-5H2,1-3H3,(H,17,18,19)
InChIKeyDTPNJBGALKFKJS-UHFFFAOYSA-N
XLogP3.24
TPSA45.75 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.33
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Frequently Asked Questions

What is the IUPAC name of 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
The IUPAC name of 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one (CID 136774590) is 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one.
What is the SMILES notation for 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
The canonical SMILES for 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one is Cc1cc(C)c(-c2nc(C3CC3)cc(=O)[nH]2)cc1C.
What is the InChIKey of 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
The InChIKey is DTPNJBGALKFKJS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O/c1-9-6-11(3)13(7-10(9)2)16-17-14(12-4-5-12)8-15(19)18-16/h6-8,12H,4-5H2,1-3H3,(H,17,18,19).
What are the key properties of 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one?
4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one has a molecular weight of 254.33 g/mol, XLogP of 3.24, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-cyclopropyl-2-(2,4,5-trimethylphenyl)-1H-pyrimidin-6-one is sourced from PubChem (CID 136774590), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).