7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

C21H23N5O4S — CID 137429464

IUPAC7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(CN2CCOCC2)C1
InChIInChI=1S/C21H23N5O4S/c27-20-18-17(23-19(24-20)16-3-1-2-4-22-16)15(13-31-18)21(28)26-7-10-30-14(12-26)11-25-5-8-29-9-6-25/h1-4,13-14H,5-12H2,(H,23,24,27)
InChIKeySBAAHRMMRUOYMT-UHFFFAOYSA-N
MW441.51 g/mol
LogP1.22
Rot. Bonds4

About 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one

7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (PubChem CID 137429464) has the molecular formula C21H23N5O4S and a molecular weight of 441.51 g/mol. Its IUPAC name is 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.

Molecular Properties

Compound Name7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
PubChem CID137429464
Molecular FormulaC21H23N5O4S
Molecular Weight441.51 g/mol
Exact Mass441.15
IUPAC Name7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one
SMILESO=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(CN2CCOCC2)C1
InChIInChI=1S/C21H23N5O4S/c27-20-18-17(23-19(24-20)16-3-1-2-4-22-16)15(13-31-18)21(28)26-7-10-30-14(12-26)11-25-5-8-29-9-6-25/h1-4,13-14H,5-12H2,(H,23,24,27)
InChIKeySBAAHRMMRUOYMT-UHFFFAOYSA-N
XLogP1.22
TPSA100.65 Ų
H-Bond Donors1
H-Bond Acceptors8
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500441.51
LogP ≤ 51.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 108

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Frequently Asked Questions

What is the IUPAC name of 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The IUPAC name of 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one (CID 137429464) is 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one.
What is the SMILES notation for 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The canonical SMILES for 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is O=C(c1csc2c(=O)[nH]c(-c3ccccn3)nc12)N1CCOC(CN2CCOCC2)C1.
What is the InChIKey of 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
The InChIKey is SBAAHRMMRUOYMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O4S/c27-20-18-17(23-19(24-20)16-3-1-2-4-22-16)15(13-31-18)21(28)26-7-10-30-14(12-26)11-25-5-8-29-9-6-25/h1-4,13-14H,5-12H2,(H,23,24,27).
What are the key properties of 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one?
7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one has a molecular weight of 441.51 g/mol, XLogP of 1.22, 4 rotatable bonds, 1 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 7-[2-(morpholin-4-ylmethyl)morpholine-4-carbonyl]-2-pyridin-2-yl-3H-thieno[3,2-d]pyrimidin-4-one is sourced from PubChem (CID 137429464), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).