2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

C16H18N2O2 — CID 136696454

IUPAC2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1cc(C)c(-c2nc3c(c(=O)[nH]2)COCC3)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-9-6-10(2)14(11(3)7-9)15-17-13-4-5-20-8-12(13)16(19)18-15/h6-7H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyDPJMPWXCQXAKBS-UHFFFAOYSA-N
MW270.33 g/mol
LogP2.43
Rot. Bonds1

About 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one

2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696454) has the molecular formula C16H18N2O2 and a molecular weight of 270.33 g/mol. Its IUPAC name is 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696454
Molecular FormulaC16H18N2O2
Molecular Weight270.33 g/mol
Exact Mass270.14
IUPAC Name2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCc1cc(C)c(-c2nc3c(c(=O)[nH]2)COCC3)c(C)c1
InChIInChI=1S/C16H18N2O2/c1-9-6-10(2)14(11(3)7-9)15-17-13-4-5-20-8-12(13)16(19)18-15/h6-7H,4-5,8H2,1-3H3,(H,17,18,19)
InChIKeyDPJMPWXCQXAKBS-UHFFFAOYSA-N
XLogP2.43
TPSA54.98 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.33
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696454) is 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is Cc1cc(C)c(-c2nc3c(c(=O)[nH]2)COCC3)c(C)c1.
What is the InChIKey of 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is DPJMPWXCQXAKBS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N2O2/c1-9-6-10(2)14(11(3)7-9)15-17-13-4-5-20-8-12(13)16(19)18-15/h6-7H,4-5,8H2,1-3H3,(H,17,18,19).
What are the key properties of 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 270.33 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2,4,6-trimethylphenyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696454), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).