8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine

C17H21FN4S — CID 146450662

IUPAC8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine
SMILES[H]/N=c1\cc(-c2cnc(C(C)(C)C)c(F)c2)nc2n1CC(C)CS2
InChIInChI=1S/C17H21FN4S/c1-10-8-22-14(19)6-13(21-16(22)23-9-10)11-5-12(18)15(20-7-11)17(2,3)4/h5-7,10,19H,8-9H2,1-4H3/b19-14+
InChIKeyOWQVXTYEZLKKLX-XMHGGMMESA-N
MW332.45 g/mol
LogP3.60
Rot. Bonds1

About 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine

8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine (PubChem CID 146450662) has the molecular formula C17H21FN4S and a molecular weight of 332.45 g/mol. Its IUPAC name is 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine.

Molecular Properties

Compound Name8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine
PubChem CID146450662
Molecular FormulaC17H21FN4S
Molecular Weight332.45 g/mol
Exact Mass332.15
IUPAC Name8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine
SMILES[H]/N=c1\cc(-c2cnc(C(C)(C)C)c(F)c2)nc2n1CC(C)CS2
InChIInChI=1S/C17H21FN4S/c1-10-8-22-14(19)6-13(21-16(22)23-9-10)11-5-12(18)15(20-7-11)17(2,3)4/h5-7,10,19H,8-9H2,1-4H3/b19-14+
InChIKeyOWQVXTYEZLKKLX-XMHGGMMESA-N
XLogP3.60
TPSA54.56 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.45
LogP ≤ 53.60
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine?
The IUPAC name of 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine (CID 146450662) is 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine.
What is the SMILES notation for 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine?
The canonical SMILES for 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine is [H]/N=c1\cc(-c2cnc(C(C)(C)C)c(F)c2)nc2n1CC(C)CS2.
What is the InChIKey of 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine?
The InChIKey is OWQVXTYEZLKKLX-XMHGGMMESA-N. The full InChI is InChI=1S/C17H21FN4S/c1-10-8-22-14(19)6-13(21-16(22)23-9-10)11-5-12(18)15(20-7-11)17(2,3)4/h5-7,10,19H,8-9H2,1-4H3/b19-14+.
What are the key properties of 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine?
8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine has a molecular weight of 332.45 g/mol, XLogP of 3.60, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(6-tert-butyl-5-fluoro-3-pyridinyl)-3-methyl-3,4-dihydro-2H-pyrimido[2,1-b][1,3]thiazin-6-imine is sourced from PubChem (CID 146450662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).