2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine

C12H17N5OS — CID 114118419

IUPAC2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CCC(Nc2nc(NN)nc3sccc23)C1
InChIInChI=1S/C12H17N5OS/c1-18-8-3-2-7(6-8)14-10-9-4-5-19-11(9)16-12(15-10)17-13/h4-5,7-8H,2-3,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyHWLHOFACESJDCG-UHFFFAOYSA-N
MW279.37 g/mol
LogP1.96
Rot. Bonds4

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

2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 114118419) has the molecular formula C12H17N5OS and a molecular weight of 279.37 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID114118419
Molecular FormulaC12H17N5OS
Molecular Weight279.37 g/mol
Exact Mass279.12
IUPAC Name2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine
SMILESCOC1CCC(Nc2nc(NN)nc3sccc23)C1
InChIInChI=1S/C12H17N5OS/c1-18-8-3-2-7(6-8)14-10-9-4-5-19-11(9)16-12(15-10)17-13/h4-5,7-8H,2-3,6,13H2,1H3,(H2,14,15,16,17)
InChIKeyHWLHOFACESJDCG-UHFFFAOYSA-N
XLogP1.96
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.37
LogP ≤ 51.96
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

3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]cyclobutan-1-ol
CID 103334408
4-[(3-methoxycyclopentyl)amino]thieno[2,3-d]pyrimidine-2-carbaldehyde;methoxyethane
CID 164585215
N-[(1R,3S)-3-methoxycyclopentyl]-2-(1-methylimidazol-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 164585263
2-ethyl-N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133423723
4-[(3-methoxycyclopentyl)amino]-N-pyridin-2-ylthieno[2,3-d]pyrimidine-2-carboxamide
CID 164585066
N-(3-methoxycyclohexyl)thieno[2,3-d]pyrimidin-4-amine
CID 133399288
2-hydrazinyl-N-(2-methyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103335505
4-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pyrrolidin-2-one
CID 106198866
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333215
4-N-(4,4-dimethylcyclohexyl)-2-N-ethylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328211
2-hydrazinyl-N-(4,5,6,7-tetrahydro-1-benzothiophen-4-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333485
4-N-(1,2-dimethylpiperidin-4-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329283

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine (CID 114118419) is 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine is COC1CCC(Nc2nc(NN)nc3sccc23)C1.
What is the InChIKey of 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is HWLHOFACESJDCG-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N5OS/c1-18-8-3-2-7(6-8)14-10-9-4-5-19-11(9)16-12(15-10)17-13/h4-5,7-8H,2-3,6,13H2,1H3,(H2,14,15,16,17).
What are the key properties of 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.37 g/mol, XLogP of 1.96, 4 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-methoxycyclopentyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114118419), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).