8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine

C20H22N6O2S — CID 174180877

IUPAC8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1Cc2ccc(Nc3ncc4ccnc(N5CCS(=O)(=O)CC5)c4n3)cc2C1
InChIInChI=1S/C20H22N6O2S/c1-25-12-15-2-3-17(10-16(15)13-25)23-20-22-11-14-4-5-21-19(18(14)24-20)26-6-8-29(27,28)9-7-26/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,23,24)
InChIKeyNOJYTRYKSXDOEP-UHFFFAOYSA-N
MW410.50 g/mol
LogP1.95
Rot. Bonds3

About 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine

8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine (PubChem CID 174180877) has the molecular formula C20H22N6O2S and a molecular weight of 410.50 g/mol. Its IUPAC name is 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine.

Molecular Properties

Compound Name8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine
PubChem CID174180877
Molecular FormulaC20H22N6O2S
Molecular Weight410.50 g/mol
Exact Mass410.15
IUPAC Name8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine
SMILESCN1Cc2ccc(Nc3ncc4ccnc(N5CCS(=O)(=O)CC5)c4n3)cc2C1
InChIInChI=1S/C20H22N6O2S/c1-25-12-15-2-3-17(10-16(15)13-25)23-20-22-11-14-4-5-21-19(18(14)24-20)26-6-8-29(27,28)9-7-26/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,23,24)
InChIKeyNOJYTRYKSXDOEP-UHFFFAOYSA-N
XLogP1.95
TPSA91.32 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds3
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500410.50
LogP ≤ 51.95
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

Analyze 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine with MolForge

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Related Compounds

6-methyl-8-(4-methylpiperazin-1-yl)-N-[2-(1-methylsulfonylazetidin-3-yl)-1,3-dihydroisoindol-5-yl]pyrido[3,4-d]pyrimidin-2-amine
CID 174180876
3-[[8-(3-azabicyclo[3.1.0]hexan-3-yl)pyrido[3,4-d]pyrimidin-2-yl]amino]-1,6-dimethyl-7,8-dihydro-5H-1,6-naphthyridin-2-one
CID 167049791
(4-methylpiperazin-1-yl)-[5-[(4-pyridin-2-ylpyrimidin-2-yl)amino]-1,3-dihydroisoindol-2-yl]methanone
CID 71233773
N-[4-(1,1-dioxo-1,4-thiazinan-4-yl)phenyl]-7-pyridin-2-ylpyrrolo[2,3-d]pyrimidin-2-amine
CID 23646644
2-[(3S)-3-fluoropyrrolidin-1-yl]-5-[2-[(2-methyl-1,3-dihydroisoindol-5-yl)amino]pyrimidin-4-yl]pyridine-3-carbonitrile
CID 78320667
6-methyl-N-[4-(4-methylpiperazin-1-yl)phenyl]-8-(1,5-oxazonan-5-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 174180811
N-(2-methyl-1,3-dihydroisoindol-5-yl)quinolin-3-amine
CID 82536084
8-(2,2-difluoro-5-azaspiro[2.4]heptan-5-yl)-N-(5-methyl-6,7-dihydro-4H-pyrazolo[1,5-a]pyrazin-2-yl)pyrido[3,4-d]pyrimidin-2-amine
CID 170686843
N-[4-(4-methylpiperazin-1-yl)phenyl]-1H-pyrazolo[3,4-d]pyrimidin-6-amine
CID 68702089
3-[[5-methyl-4-[(2-methyl-3,4-dihydro-1H-isoquinolin-6-yl)amino]pyrimidin-2-yl]amino]benzenesulfonamide
CID 163925586
2-ethyl-6-[(2-methyl-3,4-dihydro-1H-isoquinolin-7-yl)amino]-1-pyridin-2-ylpyrazolo[3,4-d]pyrimidin-3-one
CID 142557305
2-[(2-methylspiro[1,3-dihydroisoquinoline-4,1'-cyclopropane]-7-yl)amino]-6-propan-2-yl-8-pyridin-2-ylpyrimido[4,5-d]pyridazin-5-one
CID 71223951

Frequently Asked Questions

What is the IUPAC name of 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine?
The IUPAC name of 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine (CID 174180877) is 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine.
What is the SMILES notation for 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine?
The canonical SMILES for 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine is CN1Cc2ccc(Nc3ncc4ccnc(N5CCS(=O)(=O)CC5)c4n3)cc2C1.
What is the InChIKey of 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine?
The InChIKey is NOJYTRYKSXDOEP-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2S/c1-25-12-15-2-3-17(10-16(15)13-25)23-20-22-11-14-4-5-21-19(18(14)24-20)26-6-8-29(27,28)9-7-26/h2-5,10-11H,6-9,12-13H2,1H3,(H,22,23,24).
What are the key properties of 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine?
8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine has a molecular weight of 410.50 g/mol, XLogP of 1.95, 3 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 8-(1,1-dioxo-1,4-thiazinan-4-yl)-N-(2-methyl-1,3-dihydroisoindol-5-yl)pyrido[3,4-d]pyrimidin-2-amine is sourced from PubChem (CID 174180877), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).