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

C11H14N2O2 — CID 83859055

IUPAC4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one
SMILESCC(=O)CCc1ncnc2c1COCC2
InChIInChI=1S/C11H14N2O2/c1-8(14)2-3-10-9-6-15-5-4-11(9)13-7-12-10/h7H,2-6H2,1H3
InChIKeyHIFZOAJMDQXWFI-UHFFFAOYSA-N
MW206.24 g/mol
LogP1.07
Rot. Bonds3

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

4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one (PubChem CID 83859055) has the molecular formula C11H14N2O2 and a molecular weight of 206.24 g/mol. Its IUPAC name is 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one.

Molecular Properties

Compound Name4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one
PubChem CID83859055
Molecular FormulaC11H14N2O2
Molecular Weight206.24 g/mol
Exact Mass206.11
IUPAC Name4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one
SMILESCC(=O)CCc1ncnc2c1COCC2
InChIInChI=1S/C11H14N2O2/c1-8(14)2-3-10-9-6-15-5-4-11(9)13-7-12-10/h7H,2-6H2,1H3
InChIKeyHIFZOAJMDQXWFI-UHFFFAOYSA-N
XLogP1.07
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500206.24
LogP ≤ 51.07
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

3-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)propan-1-amine
CID 82401884
N-methyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472169
N-ethyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472396
4-(pyrrolidin-3-ylmethyl)-7,8-dihydro-5H-pyrano[4,3-d]pyrimidine
CID 83849391
(1S)-1-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)-2-methylpropan-1-amine
CID 83859046
1-(6-methyl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-4-yl)propan-2-one
CID 83859099
N-[(5-methoxypyrimidin-2-yl)methyl]-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 166365675
ethyl 4-hydroxysulfanyl-7,8-dihydro-5H-pyrano[4,3-b]pyridine-3-carboxylate
CID 67907035
3-(1-propyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanoic acid
CID 172908850
4-(2-methyl-6,7-dihydro-5H-cyclopenta[d]pyrimidin-4-yl)butan-2-one
CID 83858928
N-cycloheptyl-3-(1-methyl-6,7-dihydro-4H-pyrano[4,3-c]pyrazol-3-yl)propanamide
CID 146072632
4-chloro-6,8-dihydro-5H-pyrano[3,4-d]pyrimidine
CID 59634433

Frequently Asked Questions

What is the IUPAC name of 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one?
The IUPAC name of 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one (CID 83859055) is 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one.
What is the SMILES notation for 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one?
The canonical SMILES for 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one is CC(=O)CCc1ncnc2c1COCC2.
What is the InChIKey of 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one?
The InChIKey is HIFZOAJMDQXWFI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N2O2/c1-8(14)2-3-10-9-6-15-5-4-11(9)13-7-12-10/h7H,2-6H2,1H3.
What are the key properties of 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one?
4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one has a molecular weight of 206.24 g/mol, XLogP of 1.07, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-yl)butan-2-one is sourced from PubChem (CID 83859055), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).