2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine

C11H17N5O2S2 — CID 103334584

IUPAC2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)CCS(C)(=O)=O)nc(NN)nc2s1
InChIInChI=1S/C11H17N5O2S2/c1-7-6-8-9(16(2)4-5-20(3,17)18)13-11(15-12)14-10(8)19-7/h6H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyMEQZONYECYFLNF-UHFFFAOYSA-N
MW315.42 g/mol
LogP0.77
Rot. Bonds5

About 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103334584) has the molecular formula C11H17N5O2S2 and a molecular weight of 315.42 g/mol. Its IUPAC name is 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103334584
Molecular FormulaC11H17N5O2S2
Molecular Weight315.42 g/mol
Exact Mass315.08
IUPAC Name2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCc1cc2c(N(C)CCS(C)(=O)=O)nc(NN)nc2s1
InChIInChI=1S/C11H17N5O2S2/c1-7-6-8-9(16(2)4-5-20(3,17)18)13-11(15-12)14-10(8)19-7/h6H,4-5,12H2,1-3H3,(H,13,14,15)
InChIKeyMEQZONYECYFLNF-UHFFFAOYSA-N
XLogP0.77
TPSA101.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.42
LogP ≤ 50.77
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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-hydrazinyl-N,6-dimethyl-N-propan-2-ylthieno[2,3-d]pyrimidin-4-amine
CID 103335021
N-[2-(cyclopropylmethoxy)ethyl]-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103334678
2-hydrazinyl-N,6-dimethyl-N-[(2-methyl-1,3-thiazol-4-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333174
2-hydrazinyl-N,6-dimethyl-N-[(4-methyl-1,3-thiazol-5-yl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103333792
2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)pyrimidin-4-amine
CID 80928821
2-hydrazinyl-N,N-bis(2-methoxyethyl)-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332567
N-(furan-2-ylmethyl)-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103332276
4-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324624
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
CID 103332316
N-butyl-6-ethyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103334096
N-[2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 103332314
N-cyclohexyl-2-hydrazinyl-N,6-dimethylthieno[2,3-d]pyrimidin-4-amine
CID 103334925

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine (CID 103334584) is 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine is Cc1cc2c(N(C)CCS(C)(=O)=O)nc(NN)nc2s1.
What is the InChIKey of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is MEQZONYECYFLNF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2S2/c1-7-6-8-9(16(2)4-5-20(3,17)18)13-11(15-12)14-10(8)19-7/h6H,4-5,12H2,1-3H3,(H,13,14,15).
What are the key properties of 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 315.42 g/mol, XLogP of 0.77, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N,6-dimethyl-N-(2-methylsulfonylethyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103334584), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).