1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide

C13H18N6OS — CID 103332954

IUPAC1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide
SMILESCc1cc2c(N3CCCCC3C(N)=O)nc(NN)nc2s1
InChIInChI=1S/C13H18N6OS/c1-7-6-8-11(16-13(18-15)17-12(8)21-7)19-5-3-2-4-9(19)10(14)20/h6,9H,2-5,15H2,1H3,(H2,14,20)(H,16,17,18)
InChIKeyVDFJWWQDTCAGSW-UHFFFAOYSA-N
MW306.39 g/mol
LogP1.13
Rot. Bonds3

About 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide

1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide (PubChem CID 103332954) has the molecular formula C13H18N6OS and a molecular weight of 306.39 g/mol. Its IUPAC name is 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide.

Molecular Properties

Compound Name1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide
PubChem CID103332954
Molecular FormulaC13H18N6OS
Molecular Weight306.39 g/mol
Exact Mass306.13
IUPAC Name1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide
SMILESCc1cc2c(N3CCCCC3C(N)=O)nc(NN)nc2s1
InChIInChI=1S/C13H18N6OS/c1-7-6-8-11(16-13(18-15)17-12(8)21-7)19-5-3-2-4-9(19)10(14)20/h6,9H,2-5,15H2,1H3,(H2,14,20)(H,16,17,18)
InChIKeyVDFJWWQDTCAGSW-UHFFFAOYSA-N
XLogP1.13
TPSA110.16 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.39
LogP ≤ 51.13
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

1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide
CID 103323978
1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-3-carboxamide
CID 103333914
[4-(2,3-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333376
[4-(3,4a,5,6,7,7a-hexahydro-2H-cyclopenta[b][1,4]oxazin-4-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333144
[6-methyl-4-(4-methylazepan-1-yl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103333721
[4-(2,4-dimethylpyrrolidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335822
[4-(3,4-dimethylpiperidin-1-yl)-6-methylthieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103335803
4-(2-ethylazepan-1-yl)-N,6-dimethylthieno[2,3-d]pyrimidin-2-amine
CID 103329896
[1-(6-ethyl-2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)piperidin-2-yl]methanol
CID 103332524
2-hydrazinyl-6-methyl-N-(2-methylcyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335312
1-(2-amino-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-4-carboxamide
CID 103323254
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]cyclohexan-1-ol
CID 103333417

Frequently Asked Questions

What is the IUPAC name of 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide?
The IUPAC name of 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide (CID 103332954) is 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide.
What is the SMILES notation for 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide?
The canonical SMILES for 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide is Cc1cc2c(N3CCCCC3C(N)=O)nc(NN)nc2s1.
What is the InChIKey of 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide?
The InChIKey is VDFJWWQDTCAGSW-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N6OS/c1-7-6-8-11(16-13(18-15)17-12(8)21-7)19-5-3-2-4-9(19)10(14)20/h6,9H,2-5,15H2,1H3,(H2,14,20)(H,16,17,18).
What are the key properties of 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide?
1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide has a molecular weight of 306.39 g/mol, XLogP of 1.13, 3 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)piperidine-2-carboxamide is sourced from PubChem (CID 103332954), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).