5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine

C13H18N4S2 — CID 106445664

IUPAC5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C3CSCCN3C)nc(N)c2c1C
InChIInChI=1S/C13H18N4S2/c1-7-8(2)19-13-10(7)11(14)15-12(16-13)9-6-18-5-4-17(9)3/h9H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyLPMHPSWZHXEDJY-UHFFFAOYSA-N
MW294.45 g/mol
LogP2.61
Rot. Bonds1

About 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 106445664) has the molecular formula C13H18N4S2 and a molecular weight of 294.45 g/mol. Its IUPAC name is 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID106445664
Molecular FormulaC13H18N4S2
Molecular Weight294.45 g/mol
Exact Mass294.10
IUPAC Name5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1sc2nc(C3CSCCN3C)nc(N)c2c1C
InChIInChI=1S/C13H18N4S2/c1-7-8(2)19-13-10(7)11(14)15-12(16-13)9-6-18-5-4-17(9)3/h9H,4-6H2,1-3H3,(H2,14,15,16)
InChIKeyLPMHPSWZHXEDJY-UHFFFAOYSA-N
XLogP2.61
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.45
LogP ≤ 52.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 106445661
5,6-dimethyl-2-(2-methylcyclopropyl)thieno[2,3-d]pyrimidin-4-amine
CID 65419572
4-cyclopentyl-6-(4-methylthiomorpholin-3-yl)-1,3,5-triazin-2-amine
CID 106446147
2-cyclopentyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 61025320
5-iodo-2-(4-methylthiomorpholin-3-yl)-6-propylpyrimidin-4-amine
CID 106445744
3-(4,6-dichloro-5-iodopyrimidin-2-yl)-4-methylthiomorpholine
CID 103595131
5,6-dimethyl-2-morpholin-4-ylthieno[2,3-d]pyrimidin-4-amine
CID 14639124
3-[4,6-dimethyl-2-(4-methylthiomorpholin-3-yl)pyrimidin-5-yl]-2-methylpropan-1-amine
CID 106445974
5,6-dimethyl-2-(3-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 61025564
5,6-dimethyl-2-[(4-methylpiperazin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 60701185
4-methyl-3-(5-methyl-1,3-thiazol-2-yl)thiomorpholine
CID 106446200
3-(5-iodo-1,2,4-thiadiazol-3-yl)-4-methylthiomorpholine
CID 106446173

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine (CID 106445664) is 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine is Cc1sc2nc(C3CSCCN3C)nc(N)c2c1C.
What is the InChIKey of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is LPMHPSWZHXEDJY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4S2/c1-7-8(2)19-13-10(7)11(14)15-12(16-13)9-6-18-5-4-17(9)3/h9H,4-6H2,1-3H3,(H2,14,15,16).
What are the key properties of 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 294.45 g/mol, XLogP of 2.61, 1 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(4-methylthiomorpholin-3-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 106445664), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).