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

C24H25N5O3S2 — CID 59829337

IUPACN-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(S(C)(=O)=O)c4)c(C)c3n2)cn1
InChIInChI=1S/C24H25N5O3S2/c1-15-20-22(33-21(15)16-5-4-6-18(13-16)34(3,30)31)24(29-9-11-32-12-10-29)28-23(27-20)17-7-8-19(25-2)26-14-17/h4-8,13-14H,9-12H2,1-3H3,(H,25,26)
InChIKeyRBQCMYZUARLQAB-UHFFFAOYSA-N
MW495.63 g/mol
LogP4.01
Rot. Bonds5

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

N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (PubChem CID 59829337) has the molecular formula C24H25N5O3S2 and a molecular weight of 495.63 g/mol. Its IUPAC name is N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine.

Molecular Properties

Compound NameN-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
PubChem CID59829337
Molecular FormulaC24H25N5O3S2
Molecular Weight495.63 g/mol
Exact Mass495.14
IUPAC NameN-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
SMILESCNc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(S(C)(=O)=O)c4)c(C)c3n2)cn1
InChIInChI=1S/C24H25N5O3S2/c1-15-20-22(33-21(15)16-5-4-6-18(13-16)34(3,30)31)24(29-9-11-32-12-10-29)28-23(27-20)17-7-8-19(25-2)26-14-17/h4-8,13-14H,9-12H2,1-3H3,(H,25,26)
InChIKeyRBQCMYZUARLQAB-UHFFFAOYSA-N
XLogP4.01
TPSA97.31 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500495.63
LogP ≤ 54.01
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

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Related Compounds

N-methyl-5-[7-methyl-6-(3-methylsulfanylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 143694961
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829270
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
N-methyl-5-[6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 59829279
[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
5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]pyridin-2-amine
CID 67514428
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
2,3-dimethyl-4-[[5-[7-(3-methylsulfonylphenyl)-4-morpholin-4-ylquinazolin-2-yl]-2-pyridinyl]carbamoylamino]benzamide
CID 67514313
[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-6-yl)-7-methyl-6-(2-methylsulfonyl-1,3-thiazol-4-yl)thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 24968944
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

Frequently Asked Questions

What is the IUPAC name of N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The IUPAC name of N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine (CID 59829337) is N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-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-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The canonical SMILES for N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is CNc1ccc(-c2nc(N3CCOCC3)c3sc(-c4cccc(S(C)(=O)=O)c4)c(C)c3n2)cn1.
What is the InChIKey of N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
The InChIKey is RBQCMYZUARLQAB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H25N5O3S2/c1-15-20-22(33-21(15)16-5-4-6-18(13-16)34(3,30)31)24(29-9-11-32-12-10-29)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-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine?
N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine has a molecular weight of 495.63 g/mol, XLogP of 4.01, 5 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-5-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine is sourced from PubChem (CID 59829337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).