N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

C24H25N5OS2 — CID 143694961

IUPACN-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(SC)c4)c(C)c3n2)cn1
InChIInChI=1S/C24H25N5OS2/c1-15-20-22(32-21(15)16-5-4-6-18(13-16)31-3)24(29-9-11-30-12-10-29)28-23(27-20)17-7-8-19(25-2)26-14-17/h4-8,13-14H,9-12H2,1-3H3,(H,25,26)
InChIKeySDOCNDMDZRQXIB-UHFFFAOYSA-N
MW463.63 g/mol
LogP5.33
Rot. Bonds5

About N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine

N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 143694961) has the molecular formula C24H25N5OS2 and a molecular weight of 463.63 g/mol. Its IUPAC name is N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
PubChem CID143694961
Molecular FormulaC24H25N5OS2
Molecular Weight463.63 g/mol
Exact Mass463.15
IUPAC NameN-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(SC)c4)c(C)c3n2)cn1
InChIInChI=1S/C24H25N5OS2/c1-15-20-22(32-21(15)16-5-4-6-18(13-16)31-3)24(29-9-11-30-12-10-29)28-23(27-20)17-7-8-19(25-2)26-14-17/h4-8,13-14H,9-12H2,1-3H3,(H,25,26)
InChIKeySDOCNDMDZRQXIB-UHFFFAOYSA-N
XLogP5.33
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500463.63
LogP ≤ 55.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Related Compounds

N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829337
[3-[7-methyl-4-morpholin-4-yl-2-(1H-pyrrolo[2,3-b]pyridin-5-yl)thieno[3,2-d]pyrimidin-6-yl]phenyl]-methylsulfonylmethanamine
CID 91176234
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829270
[3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]phenyl]-[4-(dimethylamino)piperidin-1-yl]methanone
CID 59829336
4-[2-(1H-imidazo[4,5-b]pyridin-3-ium-6-yl)-7-methyl-6-(3-methylsulfonylphenyl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 123210737
5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 143695009
4-[2-(2-aminopyrimidin-5-yl)-7-methyl-6-[4-[2-(sulfinatoamino)ethyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 118914310
4-[1-methyl-6-(3-methylsulfanylphenyl)pyrazolo[5,4-d]pyrimidin-4-yl]morpholine
CID 70702032
2-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenoxy]ethanol
CID 86624291
(2S)-N-[3-(2-chloro-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl)phenyl]-2-hydroxypropanamide
CID 86624248
(2S)-2-hydroxy-3-[4-[[2-[6-(methylamino)-3-pyridinyl]-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]propanal
CID 87670243

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (CID 143694961) is N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.
What is the SMILES notation for N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is CNc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(SC)c4)c(C)c3n2)cn1.
What is the InChIKey of N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is SDOCNDMDZRQXIB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5OS2/c1-15-20-22(32-21(15)16-5-4-6-18(13-16)31-3)24(29-9-11-30-12-10-29)28-23(27-20)17-7-8-19(25-2)26-14-17/h4-8,13-14H,9-12H2,1-3H3,(H,25,26).
What are the key properties of N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 463.63 g/mol, XLogP of 5.33, 5 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 143694961), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).