5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

C24H26N8OS2 — CID 143695009

IUPAC5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccc(N3CCSCC3)nc2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C24H26N8OS2/c1-15-19-21(35-20(15)16-2-3-18(26-12-16)31-6-10-34-11-7-31)23(32-4-8-33-9-5-32)30-22(29-19)17-13-27-24(25)28-14-17/h2-3,12-14H,4-11H2,1H3,(H2,25,27,28)
InChIKeyLDMOOBFEXALJGB-UHFFFAOYSA-N
MW506.66 g/mol
LogP3.49
Rot. Bonds4

About 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine

5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine (PubChem CID 143695009) has the molecular formula C24H26N8OS2 and a molecular weight of 506.66 g/mol. Its IUPAC name is 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.

Molecular Properties

Compound Name5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
PubChem CID143695009
Molecular FormulaC24H26N8OS2
Molecular Weight506.66 g/mol
Exact Mass506.17
IUPAC Name5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
SMILESCc1c(-c2ccc(N3CCSCC3)nc2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12
InChIInChI=1S/C24H26N8OS2/c1-15-19-21(35-20(15)16-2-3-18(26-12-16)31-6-10-34-11-7-31)23(32-4-8-33-9-5-32)30-22(29-19)17-13-27-24(25)28-14-17/h2-3,12-14H,4-11H2,1H3,(H2,25,27,28)
InChIKeyLDMOOBFEXALJGB-UHFFFAOYSA-N
XLogP3.49
TPSA106.18 Ų
H-Bond Donors1
H-Bond Acceptors11
Rotatable Bonds4
Heavy Atoms35
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500506.66
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1011

Analyze 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine with MolForge

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Related Compounds

4-[2-(2-aminopyrimidin-5-yl)-7-methyl-6-[4-[2-(sulfinatoamino)ethyl]phenyl]thieno[3,2-d]pyrimidin-4-yl]morpholine
CID 118914310
[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-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]thiophen-2-yl]-(4-methylpiperazin-1-yl)methanone
CID 59829431
3-[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-N-(2-hydroxyethyl)benzamide
CID 59829345
5-(2-methyl-7-morpholin-4-yl-[1,3]thiazolo[4,5-d]pyrimidin-5-yl)pyrimidin-2-amine
CID 143782763
5-(6-methyl-4-morpholin-4-ylthieno[2,3-d]pyrimidin-2-yl)pyrimidin-2-amine
CID 59829563
5-[4-morpholin-4-yl-6-(thiomorpholin-4-ylmethyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine
CID 66934113
2-[4-[5-[2-(2-aminopyrimidin-5-yl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]-2-pyridinyl]piperazin-1-yl]ethanol
CID 59829471
4-[5-(6-morpholin-4-yl-3-pyridinyl)-[1,3]thiazolo[4,5-d]pyrimidin-7-yl]morpholine
CID 58508193
3-[4-[[2-(2-aminopyrimidin-5-yl)-7-methyl-4-morpholin-4-ylthieno[3,2-d]pyrimidin-6-yl]methyl]piperazin-1-yl]-2-hydroxypropanal
CID 87530195
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-[7-methyl-6-(3-methylsulfonylphenyl)-4-morpholin-4-ylthieno[3,2-d]pyrimidin-2-yl]pyridin-2-amine
CID 59829337

Frequently Asked Questions

What is the IUPAC name of 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The IUPAC name of 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) is 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine.
What is the SMILES notation for 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The canonical SMILES for 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is Cc1c(-c2ccc(N3CCSCC3)nc2)sc2c(N3CCOCC3)nc(-c3cnc(N)nc3)nc12.
What is the InChIKey of 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
The InChIKey is LDMOOBFEXALJGB-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H26N8OS2/c1-15-19-21(35-20(15)16-2-3-18(26-12-16)31-6-10-34-11-7-31)23(32-4-8-33-9-5-32)30-22(29-19)17-13-27-24(25)28-14-17/h2-3,12-14H,4-11H2,1H3,(H2,25,27,28).
What are the key properties of 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine?
5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine has a molecular weight of 506.66 g/mol, XLogP of 3.49, 4 rotatable bonds, 1 hydrogen bond donors, and 11 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[7-methyl-4-morpholin-4-yl-6-(6-thiomorpholin-4-yl-3-pyridinyl)thieno[3,2-d]pyrimidin-2-yl]pyrimidin-2-amine is sourced from PubChem (CID 143695009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).