5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine

C11H12N4OS — CID 63020369

IUPAC5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2nc3c(s2)COCC3)c(N)n1
InChIInChI=1S/C11H12N4OS/c1-6-13-4-7(10(12)14-6)11-15-8-2-3-16-5-9(8)17-11/h4H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyYDPSGSMSSIGMGT-UHFFFAOYSA-N
MW248.31 g/mol
LogP1.56
Rot. Bonds1

About 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine

5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine (PubChem CID 63020369) has the molecular formula C11H12N4OS and a molecular weight of 248.31 g/mol. Its IUPAC name is 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound Name5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
PubChem CID63020369
Molecular FormulaC11H12N4OS
Molecular Weight248.31 g/mol
Exact Mass248.07
IUPAC Name5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine
SMILESCc1ncc(-c2nc3c(s2)COCC3)c(N)n1
InChIInChI=1S/C11H12N4OS/c1-6-13-4-7(10(12)14-6)11-15-8-2-3-16-5-9(8)17-11/h4H,2-3,5H2,1H3,(H2,12,13,14)
InChIKeyYDPSGSMSSIGMGT-UHFFFAOYSA-N
XLogP1.56
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.31
LogP ≤ 51.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine (CID 63020369) is 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine is Cc1ncc(-c2nc3c(s2)COCC3)c(N)n1.
What is the InChIKey of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
The InChIKey is YDPSGSMSSIGMGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4OS/c1-6-13-4-7(10(12)14-6)11-15-8-2-3-16-5-9(8)17-11/h4H,2-3,5H2,1H3,(H2,12,13,14).
What are the key properties of 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine?
5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine has a molecular weight of 248.31 g/mol, XLogP of 1.56, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(6,7-dihydro-4H-pyrano[4,3-d][1,3]thiazol-2-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 63020369), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).