2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione

C11H13N3OS2 — CID 4689928

IUPAC2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione
SMILESS=c1[nH]c(CN2CCOCC2)nc2sccc12
InChIInChI=1S/C11H13N3OS2/c16-10-8-1-6-17-11(8)13-9(12-10)7-14-2-4-15-5-3-14/h1,6H,2-5,7H2,(H,12,13,16)
InChIKeyOHJBPZXJTPBTCH-UHFFFAOYSA-N
MW267.38 g/mol
LogP2.19
Rot. Bonds2

About 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione

2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione (PubChem CID 4689928) has the molecular formula C11H13N3OS2 and a molecular weight of 267.38 g/mol. Its IUPAC name is 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione.

Molecular Properties

Compound Name2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione
PubChem CID4689928
Molecular FormulaC11H13N3OS2
Molecular Weight267.38 g/mol
Exact Mass267.05
IUPAC Name2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione
SMILESS=c1[nH]c(CN2CCOCC2)nc2sccc12
InChIInChI=1S/C11H13N3OS2/c16-10-8-1-6-17-11(8)13-9(12-10)7-14-2-4-15-5-3-14/h1,6H,2-5,7H2,(H,12,13,16)
InChIKeyOHJBPZXJTPBTCH-UHFFFAOYSA-N
XLogP2.19
TPSA41.15 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.38
LogP ≤ 52.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

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Related Compounds

N-methyl-2-(1,4-oxazepan-4-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 62974588
2-morpholin-4-yl-3H-thieno[2,3-d]pyrimidin-4-one
CID 12620074
4-(1H-imidazo[4,5-b]pyrazin-2-ylmethyl)morpholine
CID 3043537
2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103332803
2-(morpholin-4-ylmethyl)-3H-thiochromeno[3,4-d]imidazol-4-one
CID 24835527
2-(morpholin-4-ylmethyl)-3H-benzimidazol-5-amine;hydrochloride
CID 11948880
13-(morpholin-4-ylmethyl)-17-thia-2,9,12,14-tetrazatetracyclo[8.7.0.03,8.011,16]heptadeca-1,3,5,7,9,11(16),12-heptaen-15-one
CID 136674639
8-bromo-2-(morpholin-4-ylmethyl)-3H-[1]benzofuro[3,2-d]pyrimidin-4-one
CID 135867926
4-thieno[2,3-d]pyrimidin-4-ylmorpholine
CID 2457329
4-[(2-bromo-1,3-thiazol-4-yl)methyl]morpholine
CID 117191298
propane;4-(thiophen-2-ylmethyl)morpholine
CID 142296614
4-[(4-aminothieno[2,3-d]pyrimidin-2-yl)methyl]morpholin-3-one
CID 79467885

Frequently Asked Questions

What is the IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione?
The IUPAC name of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione (CID 4689928) is 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione.
What is the SMILES notation for 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione?
The canonical SMILES for 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione is S=c1[nH]c(CN2CCOCC2)nc2sccc12.
What is the InChIKey of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione?
The InChIKey is OHJBPZXJTPBTCH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13N3OS2/c16-10-8-1-6-17-11(8)13-9(12-10)7-14-2-4-15-5-3-14/h1,6H,2-5,7H2,(H,12,13,16).
What are the key properties of 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione?
2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione has a molecular weight of 267.38 g/mol, XLogP of 2.19, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(morpholin-4-ylmethyl)-3H-thieno[2,3-d]pyrimidine-4-thione is sourced from PubChem (CID 4689928), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).