2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid

C11H14N2O3 — CID 105478987

IUPAC2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ncc2c(n1)CCOC2
InChIInChI=1S/C11H14N2O3/c1-11(2,10(14)15)9-12-5-7-6-16-4-3-8(7)13-9/h5H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyAIBYTVPNXNHFCW-UHFFFAOYSA-N
MW222.24 g/mol
LogP0.91
Rot. Bonds2

About 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid

2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid (PubChem CID 105478987) has the molecular formula C11H14N2O3 and a molecular weight of 222.24 g/mol. Its IUPAC name is 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid.

Molecular Properties

Compound Name2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid
PubChem CID105478987
Molecular FormulaC11H14N2O3
Molecular Weight222.24 g/mol
Exact Mass222.10
IUPAC Name2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid
SMILESCC(C)(C(=O)O)c1ncc2c(n1)CCOC2
InChIInChI=1S/C11H14N2O3/c1-11(2,10(14)15)9-12-5-7-6-16-4-3-8(7)13-9/h5H,3-4,6H2,1-2H3,(H,14,15)
InChIKeyAIBYTVPNXNHFCW-UHFFFAOYSA-N
XLogP0.91
TPSA72.31 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.24
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-[7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl(methyl)amino]acetic acid
CID 83839013
1-(2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105465547
1-(2-amino-7,8-dihydro-5H-pyrano[4,3-b]pyridin-3-yl)ethanone
CID 105446020
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)ethanamine
CID 83914930
methyl 7,8-dihydro-5H-pyrano[4,3-b]pyridine-2-carboxylate
CID 163390818
2-tert-butyl-5,6,7,8-tetrahydroquinazoline
CID 18736797
methyl 2-chloro-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
CID 131536994
N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2,4-dimethylthiophene-3-sulfonamide
CID 136569928
4-(difluoromethyl)-N-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-3-fluorobenzamide
CID 136570579
N-(pyrrolidin-2-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-amine
CID 83841695
[4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)piperazin-1-yl]-[4-[(dimethylamino)methyl]phenyl]methanone
CID 110245604
2-tert-butyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazole-3-carboxylic acid
CID 105481851

Frequently Asked Questions

What is the IUPAC name of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid?
The IUPAC name of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid (CID 105478987) is 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid.
What is the SMILES notation for 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid?
The canonical SMILES for 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid is CC(C)(C(=O)O)c1ncc2c(n1)CCOC2.
What is the InChIKey of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid?
The InChIKey is AIBYTVPNXNHFCW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O3/c1-11(2,10(14)15)9-12-5-7-6-16-4-3-8(7)13-9/h5H,3-4,6H2,1-2H3,(H,14,15).
What are the key properties of 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid?
2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid has a molecular weight of 222.24 g/mol, XLogP of 0.91, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-2-yl)-2-methylpropanoic acid is sourced from PubChem (CID 105478987), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).