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

C11H16N2O3 — CID 136696195

IUPAC2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC(C)(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C11H16N2O3/c1-11(2,15-3)10-12-8-4-5-16-6-7(8)9(14)13-10/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyKPKRIBGKUFUHAT-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.72
Rot. Bonds2

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

2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (PubChem CID 136696195) has the molecular formula C11H16N2O3 and a molecular weight of 224.26 g/mol. Its IUPAC name is 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
PubChem CID136696195
Molecular FormulaC11H16N2O3
Molecular Weight224.26 g/mol
Exact Mass224.12
IUPAC Name2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
SMILESCOC(C)(C)c1nc2c(c(=O)[nH]1)COCC2
InChIInChI=1S/C11H16N2O3/c1-11(2,15-3)10-12-8-4-5-16-6-7(8)9(14)13-10/h4-6H2,1-3H3,(H,12,13,14)
InChIKeyKPKRIBGKUFUHAT-UHFFFAOYSA-N
XLogP0.72
TPSA64.21 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2,2,2-Trifluoroethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696208
2-(2,2,3,3-Tetrafluoropropoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696284
2-Methyl-7,8-dihydro-3H-pyrano[4,3-d]pyrimidin-4(5H)-one
CID 135741851
2-Tert-butyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136612915
2-[(2-Methoxy-ethylamino)-methyl]-3,5,7,8tetrahydro-pyrano[4,3-d]pyrimidin-4-one
CID 136627242
2-Butan-2-yl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696218
2-Ethyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696292
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917811
Ethane;2-methyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 144917824
2,7,7-Trimethyl-3,5-dihydrofuro[3,4-d]pyrimidin-4-one
CID 172576459
2-Acetyl-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136693520
2-(Ethoxymethyl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one
CID 136696136

Frequently Asked Questions

What is the IUPAC name of 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The IUPAC name of 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one (CID 136696195) is 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The canonical SMILES for 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is COC(C)(C)c1nc2c(c(=O)[nH]1)COCC2.
What is the InChIKey of 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
The InChIKey is KPKRIBGKUFUHAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16N2O3/c1-11(2,15-3)10-12-8-4-5-16-6-7(8)9(14)13-10/h4-6H2,1-3H3,(H,12,13,14).
What are the key properties of 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one?
2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one has a molecular weight of 224.26 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-methoxypropan-2-yl)-3,5,7,8-tetrahydropyrano[4,3-d]pyrimidin-4-one is sourced from PubChem (CID 136696195), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).