N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine

C15H23N5S — CID 62244736

IUPACN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1nc(NN)c2ccsc2n1)C1CCCCCC1
InChIInChI=1S/C15H23N5S/c1-20(11-6-4-2-3-5-7-11)10-13-17-14(19-16)12-8-9-21-15(12)18-13/h8-9,11H,2-7,10,16H2,1H3,(H,17,18,19)
InChIKeyIGJCKWYSEBAAHN-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.13
Rot. Bonds4

About N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine

N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine (PubChem CID 62244736) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine.

Molecular Properties

Compound NameN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
PubChem CID62244736
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine
SMILESCN(Cc1nc(NN)c2ccsc2n1)C1CCCCCC1
InChIInChI=1S/C15H23N5S/c1-20(11-6-4-2-3-5-7-11)10-13-17-14(19-16)12-8-9-21-15(12)18-13/h8-9,11H,2-7,10,16H2,1H3,(H,17,18,19)
InChIKeyIGJCKWYSEBAAHN-UHFFFAOYSA-N
XLogP3.13
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methyloxolan-3-amine
CID 82744158
N-[(4-chlorothieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcyclopentanamine
CID 62189688
2-[[(4-ethylcyclohexyl)-methylamino]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 62208278
2-[cyclobutyl-[[4-(methylamino)thieno[2,3-d]pyrimidin-2-yl]methyl]amino]ethanol
CID 102870575
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N,3-dimethylaniline
CID 62246450
[2-[(3,5-dimethylpiperidin-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 62244605
2-[[1-cyclopropylethyl(methyl)amino]methyl]-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62182231
N-[(4-hydrazinyl-6-methylpyrimidin-2-yl)methyl]-N-methylcyclohexanamine
CID 80655142
[2-[(4,4-dimethylazepan-1-yl)methyl]thieno[2,3-d]pyrimidin-4-yl]hydrazine
CID 65281811
1-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]pyrrolidine-2,5-dione
CID 62245015
N-cyclobutyl-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103335783
2-(cyclohexyloxymethyl)-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 62194547

Frequently Asked Questions

What is the IUPAC name of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
The IUPAC name of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine (CID 62244736) is N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine.
What is the SMILES notation for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
The canonical SMILES for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine is CN(Cc1nc(NN)c2ccsc2n1)C1CCCCCC1.
What is the InChIKey of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
The InChIKey is IGJCKWYSEBAAHN-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-20(11-6-4-2-3-5-7-11)10-13-17-14(19-16)12-8-9-21-15(12)18-13/h8-9,11H,2-7,10,16H2,1H3,(H,17,18,19).
What are the key properties of N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine?
N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine has a molecular weight of 305.45 g/mol, XLogP of 3.13, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-hydrazinylthieno[2,3-d]pyrimidin-2-yl)methyl]-N-methylcycloheptanamine is sourced from PubChem (CID 62244736), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).