2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine

C13H21N5S — CID 103333804

IUPAC2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)CCC(C)Nc1nc(NN)nc2sccc12
InChIInChI=1S/C13H21N5S/c1-8(2)4-5-9(3)15-11-10-6-7-19-12(10)17-13(16-11)18-14/h6-9H,4-5,14H2,1-3H3,(H2,15,16,17,18)
InChIKeySNHKOIVUDILEIG-UHFFFAOYSA-N
MW279.41 g/mol
LogP3.21
Rot. Bonds6

About 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine

2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine (PubChem CID 103333804) has the molecular formula C13H21N5S and a molecular weight of 279.41 g/mol. Its IUPAC name is 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
PubChem CID103333804
Molecular FormulaC13H21N5S
Molecular Weight279.41 g/mol
Exact Mass279.15
IUPAC Name2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine
SMILESCC(C)CCC(C)Nc1nc(NN)nc2sccc12
InChIInChI=1S/C13H21N5S/c1-8(2)4-5-9(3)15-11-10-6-7-19-12(10)17-13(16-11)18-14/h6-9H,4-5,14H2,1-3H3,(H2,15,16,17,18)
InChIKeySNHKOIVUDILEIG-UHFFFAOYSA-N
XLogP3.21
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.41
LogP ≤ 53.21
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

N-(1-cyclopropylpropan-2-yl)-2-hydrazinylthieno[2,3-d]pyrimidin-4-amine
CID 103333826
2-hydrazinyl-N-(1-methylsulfonylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103333992
2-hydrazinyl-N-(1-morpholin-4-ylpropan-2-yl)thieno[2,3-d]pyrimidin-4-amine
CID 103332803
[4-(3-methylbutylsulfanyl)thieno[2,3-d]pyrimidin-2-yl]hydrazine
CID 107766413
2-N-methyl-4-N-(4-methylpentan-2-yl)thieno[2,3-d]pyrimidine-2,4-diamine
CID 103324758
4-[[2-(methylamino)thieno[2,3-d]pyrimidin-4-yl]amino]pentan-1-ol
CID 103329081
4-N-(4-methoxybutan-2-yl)-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103328328
5-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-2-ol
CID 106138733
4-N-[1-(dimethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103329471
4-N-[1-(diethylamino)propan-2-yl]-2-N-methylthieno[2,3-d]pyrimidine-2,4-diamine
CID 103326985
2-hydrazinyl-N-(2-phenylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 103335640
1-[(2-hydrazinylthieno[2,3-d]pyrimidin-4-yl)amino]pentan-3-ol
CID 103335755

Frequently Asked Questions

What is the IUPAC name of 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine (CID 103333804) is 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine is CC(C)CCC(C)Nc1nc(NN)nc2sccc12.
What is the InChIKey of 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is SNHKOIVUDILEIG-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5S/c1-8(2)4-5-9(3)15-11-10-6-7-19-12(10)17-13(16-11)18-14/h6-9H,4-5,14H2,1-3H3,(H2,15,16,17,18).
What are the key properties of 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine?
2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 279.41 g/mol, XLogP of 3.21, 6 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-hydrazinyl-N-(5-methylhexan-2-yl)thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 103333804), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).