2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide

C12H18N6OS — CID 103332950

IUPAC2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(NN)nc2sccc12
InChIInChI=1S/C12H18N6OS/c1-3-5-18(7-9(19)14-2)10-8-4-6-20-11(8)16-12(15-10)17-13/h4,6H,3,5,7,13H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyISZPNSSCDGOMRH-UHFFFAOYSA-N
MW294.38 g/mol
LogP0.94
Rot. Bonds6

About 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide

2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide (PubChem CID 103332950) has the molecular formula C12H18N6OS and a molecular weight of 294.38 g/mol. Its IUPAC name is 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide.

Molecular Properties

Compound Name2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
PubChem CID103332950
Molecular FormulaC12H18N6OS
Molecular Weight294.38 g/mol
Exact Mass294.13
IUPAC Name2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
SMILESCCCN(CC(=O)NC)c1nc(NN)nc2sccc12
InChIInChI=1S/C12H18N6OS/c1-3-5-18(7-9(19)14-2)10-8-4-6-20-11(8)16-12(15-10)17-13/h4,6H,3,5,7,13H2,1-2H3,(H,14,19)(H,15,16,17)
InChIKeyISZPNSSCDGOMRH-UHFFFAOYSA-N
XLogP0.94
TPSA96.17 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.38
LogP ≤ 50.94
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-[(2-chlorothieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide
CID 103321124
2-[ethyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N,N-dimethylacetamide
CID 103332682
4-N-ethyl-2-N-methyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324590
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221
N-benzyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103334130
N-ethyl-2-hydrazinyl-N-phenylthieno[2,3-d]pyrimidin-4-amine
CID 103333918
N-cyclopropyl-N-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103335410
2-hydrazinyl-N-methyl-N-(3,3,3-trifluoropropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334358
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677
2-[(4-hydrazinyl-6-methoxy-1,3,5-triazin-2-yl)-propylamino]-N-methylacetamide
CID 80904852
2-[cyclopropyl-(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 103333014
6-ethyl-2-hydrazinyl-N,N-dipropylthieno[2,3-d]pyrimidin-4-amine
CID 103335029

Frequently Asked Questions

What is the IUPAC name of 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
The IUPAC name of 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide (CID 103332950) is 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide.
What is the SMILES notation for 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
The canonical SMILES for 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide is CCCN(CC(=O)NC)c1nc(NN)nc2sccc12.
What is the InChIKey of 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
The InChIKey is ISZPNSSCDGOMRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N6OS/c1-3-5-18(7-9(19)14-2)10-8-4-6-20-11(8)16-12(15-10)17-13/h4,6H,3,5,7,13H2,1-2H3,(H,14,19)(H,15,16,17).
What are the key properties of 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide?
2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide has a molecular weight of 294.38 g/mol, XLogP of 0.94, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)-propylamino]-N-methylacetamide is sourced from PubChem (CID 103332950), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).