3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

C17H15BrFN7O2S — CID 144972684

IUPAC3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2cc(Nc3ncnc4cc(Br)cnc34)ncc2F)CS1(=O)=O
InChIInChI=1S/C17H15BrFN7O2S/c1-8-16(20)25-13(6-29(8,27)28)10-3-14(21-5-11(10)19)26-17-15-12(23-7-24-17)2-9(18)4-22-15/h2-5,7-8,13H,6H2,1H3,(H2,20,25)(H,21,23,24,26)
InChIKeyHDMFWVUHYSEDHE-UHFFFAOYSA-N
MW480.32 g/mol
LogP2.28
Rot. Bonds3

About 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine

3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (PubChem CID 144972684) has the molecular formula C17H15BrFN7O2S and a molecular weight of 480.32 g/mol. Its IUPAC name is 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.

Molecular Properties

Compound Name3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
PubChem CID144972684
Molecular FormulaC17H15BrFN7O2S
Molecular Weight480.32 g/mol
Exact Mass479.02
IUPAC Name3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
SMILESCC1C(N)=NC(c2cc(Nc3ncnc4cc(Br)cnc34)ncc2F)CS1(=O)=O
InChIInChI=1S/C17H15BrFN7O2S/c1-8-16(20)25-13(6-29(8,27)28)10-3-14(21-5-11(10)19)26-17-15-12(23-7-24-17)2-9(18)4-22-15/h2-5,7-8,13H,6H2,1H3,(H2,20,25)(H,21,23,24,26)
InChIKeyHDMFWVUHYSEDHE-UHFFFAOYSA-N
XLogP2.28
TPSA136.11 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500480.32
LogP ≤ 52.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine with MolForge

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Launch Full Analysis

Related Compounds

cyclopropane;3-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 144972647
5-[5-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-2-fluorophenyl]-2-methyl-1,1-dioxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 145126548
N-[3-(5-amino-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl)-4-fluorophenyl]formamide
CID 126633533
3-(2-fluoro-4-phosphanylphenyl)-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 126633718
5-[5-fluoro-2-[(2-methoxypyrido[3,4-b]pyrazin-5-yl)amino]-4-pyridinyl]-2-methyl-1-oxo-5,6-dihydro-1,2,4-thiadiazin-3-amine
CID 145126562
cyclopropane;ethane;3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]phenyl]-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine
CID 144972562
7-bromo-N-(4-tert-butylphenyl)pyrido[3,2-d]pyrimidin-4-amine
CID 23537132
8-[3-[5-amino-6-(fluoromethyl)-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-3-yl]-4-fluoroanilino]-1,7-naphthyridine-3-carbonitrile;cyclopropane
CID 144972670
7-(5-bromo-2-fluorophenyl)-5,5-dioxo-5λ6-thia-8-azaspiro[3.5]non-8-en-9-amine
CID 142379424
N-(7-bromopyrido[3,2-d]pyrimidin-4-yl)-4-tert-butyl-1,2-oxazol-3-amine
CID 11739521
3-[2-fluoro-5-[(3-methoxy-1,7-naphthyridin-8-yl)amino]-3-pyridinyl]-6,6-dimethyl-1,1-dioxo-2,3-dihydro-1,4-thiazin-5-amine
CID 144972609
[(5S,6S)-2-amino-4-[2,3-difluoro-5-[(7-methoxypyrido[3,2-d]pyrimidin-4-yl)amino]phenyl]-5,6-dimethyl-4,5-dihydro-1,3-thiazin-6-yl]methanol
CID 145015853

Frequently Asked Questions

What is the IUPAC name of 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The IUPAC name of 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine (CID 144972684) is 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine.
What is the SMILES notation for 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The canonical SMILES for 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is CC1C(N)=NC(c2cc(Nc3ncnc4cc(Br)cnc34)ncc2F)CS1(=O)=O.
What is the InChIKey of 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
The InChIKey is HDMFWVUHYSEDHE-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H15BrFN7O2S/c1-8-16(20)25-13(6-29(8,27)28)10-3-14(21-5-11(10)19)26-17-15-12(23-7-24-17)2-9(18)4-22-15/h2-5,7-8,13H,6H2,1H3,(H2,20,25)(H,21,23,24,26).
What are the key properties of 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine?
3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine has a molecular weight of 480.32 g/mol, XLogP of 2.28, 3 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-[(7-bromopyrido[3,2-d]pyrimidin-4-yl)amino]-5-fluoro-4-pyridinyl]-6-methyl-1,1-dioxo-3,6-dihydro-2H-1,4-thiazin-5-amine is sourced from PubChem (CID 144972684), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).