7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

C16H16N4OS — CID 66860868

IUPAC7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
SMILESNC1=NC2(c3cccc(-c4cncnc4)c3)COCC2CS1
InChIInChI=1S/C16H16N4OS/c17-15-20-16(9-21-7-14(16)8-22-15)13-3-1-2-11(4-13)12-5-18-10-19-6-12/h1-6,10,14H,7-9H2,(H2,17,20)
InChIKeyHYTSAUPWBIXNKY-UHFFFAOYSA-N
MW312.40 g/mol
LogP2.05
Rot. Bonds2

About 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine

7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine (PubChem CID 66860868) has the molecular formula C16H16N4OS and a molecular weight of 312.40 g/mol. Its IUPAC name is 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine.

Molecular Properties

Compound Name7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
PubChem CID66860868
Molecular FormulaC16H16N4OS
Molecular Weight312.40 g/mol
Exact Mass312.10
IUPAC Name7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine
SMILESNC1=NC2(c3cccc(-c4cncnc4)c3)COCC2CS1
InChIInChI=1S/C16H16N4OS/c17-15-20-16(9-21-7-14(16)8-22-15)13-3-1-2-11(4-13)12-5-18-10-19-6-12/h1-6,10,14H,7-9H2,(H2,17,20)
InChIKeyHYTSAUPWBIXNKY-UHFFFAOYSA-N
XLogP2.05
TPSA73.39 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500312.40
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
The IUPAC name of 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine (CID 66860868) is 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine.
What is the SMILES notation for 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
The canonical SMILES for 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine is NC1=NC2(c3cccc(-c4cncnc4)c3)COCC2CS1.
What is the InChIKey of 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
The InChIKey is HYTSAUPWBIXNKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H16N4OS/c17-15-20-16(9-21-7-14(16)8-22-15)13-3-1-2-11(4-13)12-5-18-10-19-6-12/h1-6,10,14H,7-9H2,(H2,17,20).
What are the key properties of 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine?
7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine has a molecular weight of 312.40 g/mol, XLogP of 2.05, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 7a-(3-pyrimidin-5-ylphenyl)-4,4a,5,7-tetrahydrofuro[3,4-d][1,3]thiazin-2-amine is sourced from PubChem (CID 66860868), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).