N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

C13H21N5S — CID 103333854

IUPACN-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H21N5S/c1-3-4-5-6-7-15-11-10-8-9(2)19-12(10)17-13(16-11)18-14/h8H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNPQBOXPCGQZXBL-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.28
Rot. Bonds7

About N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine

N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (PubChem CID 103333854) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
PubChem CID103333854
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC NameN-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine
SMILESCCCCCCNc1nc(NN)nc2sc(C)cc12
InChIInChI=1S/C13H21N5S/c1-3-4-5-6-7-15-11-10-8-9(2)19-12(10)17-13(16-11)18-14/h8H,3-7,14H2,1-2H3,(H2,15,16,17,18)
InChIKeyNPQBOXPCGQZXBL-UHFFFAOYSA-N
XLogP3.28
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.28
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

2-hydrazinyl-6-methyl-N-pentylthieno[2,3-d]pyrimidin-4-amine
CID 103335234
2-hydrazinyl-6-methyl-N-(3-propoxypropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335525
N-[3-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propyl]methanesulfonamide
CID 106332464
2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethanesulfonamide
CID 103332316
N-[2-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]ethyl]methanesulfonamide
CID 103332314
2-N,6-dimethyl-4-N-propylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103324046
5-[[6-methyl-2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 107324255
3-[[6-methyl-2-(propylamino)thieno[2,3-d]pyrimidin-4-yl]amino]propan-1-ol
CID 103324486
2-hydrazinyl-6-methyl-N-[2-(2-methyl-1,3-thiazol-4-yl)ethyl]thieno[2,3-d]pyrimidin-4-amine
CID 106043581
1-[(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 103332256
N-(2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-yl)-N'-(2-methoxyethyl)-N'-methylethane-1,2-diamine
CID 103333491
2-hydrazinyl-6-methyl-N-(2,3,3-trimethylbutyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335556

Frequently Asked Questions

What is the IUPAC name of N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine (CID 103333854) is N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is CCCCCCNc1nc(NN)nc2sc(C)cc12.
What is the InChIKey of N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
The InChIKey is NPQBOXPCGQZXBL-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-3-4-5-6-7-15-11-10-8-9(2)19-12(10)17-13(16-11)18-14/h8H,3-7,14H2,1-2H3,(H2,15,16,17,18).
What are the key properties of N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine?
N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.28, 7 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-hexyl-2-hydrazinyl-6-methylthieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103333854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).