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

C15H17N5S — CID 103332450

IUPAC2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NCCCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H17N5S/c16-20-15-18-13(12-8-10-21-14(12)19-15)17-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9,16H2,(H2,17,18,19,20)
InChIKeyNWNQWWJLHJVYEQ-UHFFFAOYSA-N
MW299.40 g/mol
LogP3.02
Rot. Bonds6

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

2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103332450) has the molecular formula C15H17N5S and a molecular weight of 299.40 g/mol. Its IUPAC name is 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103332450
Molecular FormulaC15H17N5S
Molecular Weight299.40 g/mol
Exact Mass299.12
IUPAC Name2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
SMILESNNc1nc(NCCCc2ccccc2)c2ccsc2n1
InChIInChI=1S/C15H17N5S/c16-20-15-18-13(12-8-10-21-14(12)19-15)17-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9,16H2,(H2,17,18,19,20)
InChIKeyNWNQWWJLHJVYEQ-UHFFFAOYSA-N
XLogP3.02
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.40
LogP ≤ 53.02
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 106

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
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-1-ol
CID 107324351
N-(3-phenylpropyl)-2-(trifluoromethyl)thieno[2,3-d]pyrimidin-4-amine
CID 137431954
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
2-hydrazinyl-N-(4-methylsulfanylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335722
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]propanamide
CID 103332330
2-hydrazinyl-N-(2-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335640
N-[3-(cyclopropylmethoxy)propyl]-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 114098440
2-methyl-N-(2-phenylethyl)thieno[2,3-d]pyrimidin-4-amine
CID 11680593
2-hydrazinyl-N-[(4-methylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 103335344
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755
3-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]-N-methylpropanamide
CID 103333221

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine (CID 103332450) is 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is NNc1nc(NCCCc2ccccc2)c2ccsc2n1.
What is the InChIKey of 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NWNQWWJLHJVYEQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N5S/c16-20-15-18-13(12-8-10-21-14(12)19-15)17-9-4-7-11-5-2-1-3-6-11/h1-3,5-6,8,10H,4,7,9,16H2,(H2,17,18,19,20).
What are the key properties of 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 299.40 g/mol, XLogP of 3.02, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(3-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103332450), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).