6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C13H21N5OS2 — CID 103335739

IUPAC6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(C)CCS(C)=O)nc(NN)nc2s1
InChIInChI=1S/C13H21N5OS2/c1-4-9-7-10-11(15-8(2)5-6-21(3)19)16-13(18-14)17-12(10)20-9/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyDPBRWFCBCPQMAU-UHFFFAOYSA-N
MW327.48 g/mol
LogP2.11
Rot. Bonds7

About 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine

6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103335739) has the molecular formula C13H21N5OS2 and a molecular weight of 327.48 g/mol. Its IUPAC name is 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103335739
Molecular FormulaC13H21N5OS2
Molecular Weight327.48 g/mol
Exact Mass327.12
IUPAC Name6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1cc2c(NC(C)CCS(C)=O)nc(NN)nc2s1
InChIInChI=1S/C13H21N5OS2/c1-4-9-7-10-11(15-8(2)5-6-21(3)19)16-13(18-14)17-12(10)20-9/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18)
InChIKeyDPBRWFCBCPQMAU-UHFFFAOYSA-N
XLogP2.11
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.48
LogP ≤ 52.11
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

2-N-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-1-N,1-N-dimethylpropane-1,2-diamine
CID 103335521
ethyl 2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332795
6-ethyl-4-N-pentan-2-yl-2-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324208
N,6-diethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335153
4-[[6-ethyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329084
6-ethyl-2-hydrazinyl-N-[1-(1,3-thiazol-2-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333941
2-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103335072
4-N-[4-(dimethylamino)butan-2-yl]-6-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326193
6-ethyl-4-N-(2-methylsulfinylethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103330088
methyl 3-[(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanoate
CID 103332518
(4-butan-2-yloxy-6-ethylthieno[2,3-d]pyrimidin-2-yl)hydrazine
CID 103336126
[6-ethyl-4-(2-methylpropoxy)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336078

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 103335739) is 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CCc1cc2c(NC(C)CCS(C)=O)nc(NN)nc2s1.
What is the InChIKey of 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is DPBRWFCBCPQMAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5OS2/c1-4-9-7-10-11(15-8(2)5-6-21(3)19)16-13(18-14)17-12(10)20-9/h7-8H,4-6,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 327.48 g/mol, XLogP of 2.11, 7 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-2-hydrazinyl-N-(4-methylsulfinylbutan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103335739), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).