N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide

C25H24N6O2S — CID 52931894

IUPACN-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C25H24N6O2S/c32-24(28-18-4-5-18)17-3-1-2-16(12-17)20-15-34-21-14-27-25(30-23(20)21)29-19-6-7-22(26-13-19)31-8-10-33-11-9-31/h1-3,6-7,12-15,18H,4-5,8-11H2,(H,28,32)(H,27,29,30)
InChIKeyLSUSWIBQWJREBV-UHFFFAOYSA-N
MW472.57 g/mol
LogP4.23
Rot. Bonds6

About N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide

N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide (PubChem CID 52931894) has the molecular formula C25H24N6O2S and a molecular weight of 472.57 g/mol. Its IUPAC name is N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide.

Molecular Properties

Compound NameN-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide
PubChem CID52931894
Molecular FormulaC25H24N6O2S
Molecular Weight472.57 g/mol
Exact Mass472.17
IUPAC NameN-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide
SMILESO=C(NC1CC1)c1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1
InChIInChI=1S/C25H24N6O2S/c32-24(28-18-4-5-18)17-3-1-2-16(12-17)20-15-34-21-14-27-25(30-23(20)21)29-19-6-7-22(26-13-19)31-8-10-33-11-9-31/h1-3,6-7,12-15,18H,4-5,8-11H2,(H,28,32)(H,27,29,30)
InChIKeyLSUSWIBQWJREBV-UHFFFAOYSA-N
XLogP4.23
TPSA92.27 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500472.57
LogP ≤ 54.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
The IUPAC name of N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide (CID 52931894) is N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide.
What is the SMILES notation for N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
The canonical SMILES for N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide is O=C(NC1CC1)c1cccc(-c2csc3cnc(Nc4ccc(N5CCOCC5)nc4)nc23)c1.
What is the InChIKey of N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
The InChIKey is LSUSWIBQWJREBV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H24N6O2S/c32-24(28-18-4-5-18)17-3-1-2-16(12-17)20-15-34-21-14-27-25(30-23(20)21)29-19-6-7-22(26-13-19)31-8-10-33-11-9-31/h1-3,6-7,12-15,18H,4-5,8-11H2,(H,28,32)(H,27,29,30).
What are the key properties of N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide?
N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide has a molecular weight of 472.57 g/mol, XLogP of 4.23, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-cyclopropyl-3-[2-[(6-morpholin-4-yl-3-pyridinyl)amino]thieno[3,2-d]pyrimidin-7-yl]benzamide is sourced from PubChem (CID 52931894), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).