2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine

C24H21N7OS — CID 53239323

IUPAC2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)nc2)nc2c(-c3cnc4ccccc4c3)csc12
InChIInChI=1S/C24H21N7OS/c25-23-22-21(18(14-33-22)16-11-15-3-1-2-4-19(15)26-12-16)29-24(30-23)28-17-5-6-20(27-13-17)31-7-9-32-10-8-31/h1-6,11-14H,7-10H2,(H3,25,28,29,30)
InChIKeyLWLKLYWYERSFEK-UHFFFAOYSA-N
MW455.55 g/mol
LogP4.46
Rot. Bonds4

About 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine

2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine (PubChem CID 53239323) has the molecular formula C24H21N7OS and a molecular weight of 455.55 g/mol. Its IUPAC name is 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
PubChem CID53239323
Molecular FormulaC24H21N7OS
Molecular Weight455.55 g/mol
Exact Mass455.15
IUPAC Name2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine
SMILESNc1nc(Nc2ccc(N3CCOCC3)nc2)nc2c(-c3cnc4ccccc4c3)csc12
InChIInChI=1S/C24H21N7OS/c25-23-22-21(18(14-33-22)16-11-15-3-1-2-4-19(15)26-12-16)29-24(30-23)28-17-5-6-20(27-13-17)31-7-9-32-10-8-31/h1-6,11-14H,7-10H2,(H3,25,28,29,30)
InChIKeyLWLKLYWYERSFEK-UHFFFAOYSA-N
XLogP4.46
TPSA102.08 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500455.55
LogP ≤ 54.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

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Frequently Asked Questions

What is the IUPAC name of 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The IUPAC name of 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine (CID 53239323) is 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine.
What is the SMILES notation for 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The canonical SMILES for 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine is Nc1nc(Nc2ccc(N3CCOCC3)nc2)nc2c(-c3cnc4ccccc4c3)csc12.
What is the InChIKey of 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
The InChIKey is LWLKLYWYERSFEK-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H21N7OS/c25-23-22-21(18(14-33-22)16-11-15-3-1-2-4-19(15)26-12-16)29-24(30-23)28-17-5-6-20(27-13-17)31-7-9-32-10-8-31/h1-6,11-14H,7-10H2,(H3,25,28,29,30).
What are the key properties of 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine?
2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine has a molecular weight of 455.55 g/mol, XLogP of 4.46, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for 2-N-(6-morpholin-4-yl-3-pyridinyl)-7-quinolin-3-ylthieno[3,2-d]pyrimidine-2,4-diamine is sourced from PubChem (CID 53239323), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).