N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

C13H19N5OS — CID 114098440

IUPACN-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NCCCOCC2CC2)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c14-18-13-16-11(10-4-7-20-12(10)17-13)15-5-1-6-19-8-9-2-3-9/h4,7,9H,1-3,5-6,8,14H2,(H2,15,16,17,18)
InChIKeyJZTMSQDMEOQSPZ-UHFFFAOYSA-N
MW293.40 g/mol
LogP2.21
Rot. Bonds8

About N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine

N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 114098440) has the molecular formula C13H19N5OS and a molecular weight of 293.40 g/mol. Its IUPAC name is N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
PubChem CID114098440
Molecular FormulaC13H19N5OS
Molecular Weight293.40 g/mol
Exact Mass293.13
IUPAC NameN-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NCCCOCC2CC2)c2ccsc2n1
InChIInChI=1S/C13H19N5OS/c14-18-13-16-11(10-4-7-20-12(10)17-13)15-5-1-6-19-8-9-2-3-9/h4,7,9H,1-3,5-6,8,14H2,(H2,15,16,17,18)
InChIKeyJZTMSQDMEOQSPZ-UHFFFAOYSA-N
XLogP2.21
TPSA85.09 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.40
LogP ≤ 52.21
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}, {'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]propan-1-ol
CID 103335379
N-[(4-ethylcyclohexyl)methyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333215
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103332450
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722
N-[2-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]cyclopropanecarboxamide
CID 103335700
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
N-(1-cyclopropylpropan-2-yl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333826
3-[[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]methyl]cyclohexan-1-ol
CID 106138786
2-hydrazinyl-N-(thian-2-ylmethyl)thieno[2,3-d]pyrimidin-4-amine
CID 103334708
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755

Frequently Asked Questions

What is the IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine (CID 114098440) is N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is NNc1nc(NCCCOCC2CC2)c2ccsc2n1.
What is the InChIKey of N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is JZTMSQDMEOQSPZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N5OS/c14-18-13-16-11(10-4-7-20-12(10)17-13)15-5-1-6-19-8-9-2-3-9/h4,7,9H,1-3,5-6,8,14H2,(H2,15,16,17,18).
What are the key properties of N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine?
N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 293.40 g/mol, XLogP of 2.21, 8 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 114098440), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).