1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone

C9H11N3OS — CID 105463163

IUPAC1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(N)c2c(n1)CCSC2
InChIInChI=1S/C9H11N3OS/c1-5(13)9-11-7-2-3-14-4-6(7)8(10)12-9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyVMOROEIQJRSUFY-UHFFFAOYSA-N
MW209.27 g/mol
LogP1.05
Rot. Bonds1

About 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone

1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone (PubChem CID 105463163) has the molecular formula C9H11N3OS and a molecular weight of 209.27 g/mol. Its IUPAC name is 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone.

Molecular Properties

Compound Name1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone
PubChem CID105463163
Molecular FormulaC9H11N3OS
Molecular Weight209.27 g/mol
Exact Mass209.06
IUPAC Name1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone
SMILESCC(=O)c1nc(N)c2c(n1)CCSC2
InChIInChI=1S/C9H11N3OS/c1-5(13)9-11-7-2-3-14-4-6(7)8(10)12-9/h2-4H2,1H3,(H2,10,11,12)
InChIKeyVMOROEIQJRSUFY-UHFFFAOYSA-N
XLogP1.05
TPSA68.87 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.27
LogP ≤ 51.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(4-amino-6,7,8,9-tetrahydro-5H-cyclohepta[d]pyrimidin-2-yl)ethanone
CID 105457569
2-chloro-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 105454023
2-[1-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 105482388
2-[2-(methylamino)ethyl]-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-amine
CID 105482386
1-(4-methoxy-5,7-dihydrothieno[3,4-d]pyrimidin-2-yl)ethanone
CID 105464104
2-methyl-5,6,8,9-tetrahydrothiepino[4,5-d]pyrimidin-4-amine
CID 83871652
1-(6,7-dihydro-4H-thiopyrano[4,3-d][1,3]thiazol-2-yl)ethanone
CID 63379224
4-methoxy-6,8-dihydro-5H-thiopyrano[3,4-d]pyrimidine-2-carboxylic acid
CID 105483843
2-cyclopropyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidine-4-carboxylic acid
CID 83871633
3-amino-2-methyl-6,8-dihydro-5H-thiopyrano[3,4-b]pyridine-4-carboxylic acid
CID 82391810
6,9-dimethyl-3,4-dihydro-1H-thiopyrano[4,3-b]quinoline-10-carboxylic acid
CID 54948814
1-(2-methyl-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-4-yl)ethanamine
CID 83848743

Frequently Asked Questions

What is the IUPAC name of 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone?
The IUPAC name of 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone (CID 105463163) is 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone.
What is the SMILES notation for 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone?
The canonical SMILES for 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone is CC(=O)c1nc(N)c2c(n1)CCSC2.
What is the InChIKey of 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone?
The InChIKey is VMOROEIQJRSUFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11N3OS/c1-5(13)9-11-7-2-3-14-4-6(7)8(10)12-9/h2-4H2,1H3,(H2,10,11,12).
What are the key properties of 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone?
1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone has a molecular weight of 209.27 g/mol, XLogP of 1.05, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(4-amino-7,8-dihydro-5H-thiopyrano[4,3-d]pyrimidin-2-yl)ethanone is sourced from PubChem (CID 105463163), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).