5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

C14H21N3O2S2 — CID 116633152

IUPAC5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(C)S(C)(=O)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3O2S2/c1-6-7-15-13-11-8(2)9(3)20-14(11)17-12(16-13)10(4)21(5,18)19/h10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyNCIQQBPBLSJHQA-UHFFFAOYSA-N
MW327.48 g/mol
LogP3.24
Rot. Bonds5

About 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine

5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 116633152) has the molecular formula C14H21N3O2S2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
PubChem CID116633152
Molecular FormulaC14H21N3O2S2
Molecular Weight327.48 g/mol
Exact Mass327.11
IUPAC Name5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCNc1nc(C(C)S(C)(=O)=O)nc2sc(C)c(C)c12
InChIInChI=1S/C14H21N3O2S2/c1-6-7-15-13-11-8(2)9(3)20-14(11)17-12(16-13)10(4)21(5,18)19/h10H,6-7H2,1-5H3,(H,15,16,17)
InChIKeyNCIQQBPBLSJHQA-UHFFFAOYSA-N
XLogP3.24
TPSA71.95 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 53.24
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-5,6-dimethyl-2-(1-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 116633151
5,6-dimethyl-2-(methylsulfonylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 62475269
5,6-dimethyl-2-(2-methylpropyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 63485014
6-ethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 116633155
[5,6-dimethyl-4-(propylamino)thieno[2,3-d]pyrimidin-2-yl]methanol
CID 62194832
N-[3-[(2,5,6-trimethylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 39998462
5-bromo-2-(1-methylsulfonylethyl)-N,6-dipropylpyrimidin-4-amine
CID 116633228
N-butyl-2-ethyl-5,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 91965462
5-iodo-6-(2-methylpropyl)-2-(1-methylsulfonylethyl)-N-propylpyrimidin-4-amine
CID 116633286
5,6-dimethyl-N-propyl-2-thiophen-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 60634136
2-(1-methylsulfonylethyl)-N-propyl-7,8-dihydro-5H-pyrano[4,3-d]pyrimidin-4-amine
CID 106472555
[2-(1-ethoxyethyl)-5,6-dimethylthieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 64533422

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine (CID 116633152) is 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is CCCNc1nc(C(C)S(C)(=O)=O)nc2sc(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NCIQQBPBLSJHQA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21N3O2S2/c1-6-7-15-13-11-8(2)9(3)20-14(11)17-12(16-13)10(4)21(5,18)19/h10H,6-7H2,1-5H3,(H,15,16,17).
What are the key properties of 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 3.24, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-2-(1-methylsulfonylethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 116633152), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).