2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

C10H11N3O2S — CID 12620074

IUPAC2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2sccc12
InChIInChI=1S/C10H11N3O2S/c14-8-7-1-6-16-9(7)12-10(11-8)13-2-4-15-5-3-13/h1,6H,2-5H2,(H,11,12,14)
InChIKeyZLPNPIUPJIWOFL-UHFFFAOYSA-N
MW237.28 g/mol
LogP0.82
Rot. Bonds1

About 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one

2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (PubChem CID 12620074) has the molecular formula C10H11N3O2S and a molecular weight of 237.28 g/mol. Its IUPAC name is 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.

Molecular Properties

Compound Name2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
PubChem CID12620074
Molecular FormulaC10H11N3O2S
Molecular Weight237.28 g/mol
Exact Mass237.06
IUPAC Name2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
SMILESO=c1[nH]c(N2CCOCC2)nc2sccc12
InChIInChI=1S/C10H11N3O2S/c14-8-7-1-6-16-9(7)12-10(11-8)13-2-4-15-5-3-13/h1,6H,2-5H2,(H,11,12,14)
InChIKeyZLPNPIUPJIWOFL-UHFFFAOYSA-N
XLogP0.82
TPSA58.22 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.28
LogP ≤ 50.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

6-amino-2-morpholin-4-yl-3H-quinazolin-4-one
CID 136808511
6-fluoro-8-methyl-2-morpholin-4-yl-3H-quinazolin-4-one
CID 164995242
2-morpholin-4-yl-7-(thiophen-2-ylmethyl)-3,5,6,8-tetrahydropyrido[3,4-d]pyrimidin-4-one
CID 135719804
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
3-(4-methyl-2-morpholin-4-yl-6-oxo-1H-pyrimidin-5-yl)-N-[(3-methylthiophen-2-yl)methyl]propanamide
CID 137302247
2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione
CID 4689928
3-morpholin-4-yl-2H-[1]benzothiolo[2,3-f]quinazolin-1-one
CID 155565592
2-pyridin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 71068430
N-methyl-4-(1,4-oxazepan-4-yl)thieno[2,3-d]pyrimidin-2-amine
CID 103327477
6-chloro-8-(1-hydroxyethyl)-2-morpholin-4-yl-3H-quinazolin-4-one
CID 170753898
7-benzyl-2-morpholin-4-yl-1,9-dihydropurin-7-ium-6-one
CID 135532004
2,6-dimorpholin-4-yl-1H-1,3,5-triazine-4-thione
CID 977254

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The IUPAC name of 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one (CID 12620074) is 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one.
What is the SMILES notation for 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The canonical SMILES for 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is O=c1[nH]c(N2CCOCC2)nc2sccc12.
What is the InChIKey of 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
The InChIKey is ZLPNPIUPJIWOFL-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N3O2S/c14-8-7-1-6-16-9(7)12-10(11-8)13-2-4-15-5-3-13/h1,6H,2-5H2,(H,11,12,14).
What are the key properties of 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one?
2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one has a molecular weight of 237.28 g/mol, XLogP of 0.82, 1 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one is sourced from PubChem (CID 12620074), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).