N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

C15H23N5S — CID 103333215

IUPACN-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCC(CNc2nc(NN)nc3sccc23)CC1
InChIInChI=1S/C15H23N5S/c1-2-10-3-5-11(6-4-10)9-17-13-12-7-8-21-14(12)19-15(18-13)20-16/h7-8,10-11H,2-6,9,16H2,1H3,(H2,17,18,19,20)
InChIKeyBETBAZDDVWWCEX-UHFFFAOYSA-N
MW305.45 g/mol
LogP3.61
Rot. Bonds5

About N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103333215) has the molecular formula C15H23N5S and a molecular weight of 305.45 g/mol. Its IUPAC name is N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103333215
Molecular FormulaC15H23N5S
Molecular Weight305.45 g/mol
Exact Mass305.17
IUPAC NameN-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESCCC1CCC(CNc2nc(NN)nc3sccc23)CC1
InChIInChI=1S/C15H23N5S/c1-2-10-3-5-11(6-4-10)9-17-13-12-7-8-21-14(12)19-15(18-13)20-16/h7-8,10-11H,2-6,9,16H2,1H3,(H2,17,18,19,20)
InChIKeyBETBAZDDVWWCEX-UHFFFAOYSA-N
XLogP3.61
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.45
LogP ≤ 53.61
H-Bond Donors ≤ 53
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

3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138786
N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 114098440
N-(4-ethylcyclohexyl)-2-hydrazinyl-N-methylthieno[2,3-d]pyrimidin-4-amine
CID 103332677
2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334708
N-(1-cyclopropylpropan-2-yl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333826
3-[[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]methyl]cyclopentan-1-ol
CID 106137981
N-[(4,5-dimethyl-1,3-oxazol-2-yl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 106379043
2-N-methyl-4-N-(oxolan-3-ylmethyl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103327381
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
[4-[(2-methylpropan-2-yl)oxy]thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 103336022
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103335700

Frequently Asked Questions

What is the IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (CID 103333215) is N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is CCC1CCC(CNc2nc(NN)nc3sccc23)CC1.
What is the InChIKey of N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is BETBAZDDVWWCEX-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H23N5S/c1-2-10-3-5-11(6-4-10)9-17-13-12-7-8-21-14(12)19-15(18-13)20-16/h7-8,10-11H,2-6,9,16H2,1H3,(H2,17,18,19,20).
What are the key properties of N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 305.45 g/mol, XLogP of 3.61, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103333215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).