6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

C11H15N5S — CID 80896972

IUPAC6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(NN)ncn1)c1cccs1
InChIInChI=1S/C11H15N5S/c1-2-8(9-4-3-5-17-9)15-10-6-11(16-12)14-7-13-10/h3-8H,2,12H2,1H3,(H2,13,14,15,16)
InChIKeyVXMCHSAQKHQIHR-UHFFFAOYSA-N
MW249.34 g/mol
LogP2.39
Rot. Bonds5

About 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine

6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (PubChem CID 80896972) has the molecular formula C11H15N5S and a molecular weight of 249.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
PubChem CID80896972
Molecular FormulaC11H15N5S
Molecular Weight249.34 g/mol
Exact Mass249.10
IUPAC Name6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
SMILESCCC(Nc1cc(NN)ncn1)c1cccs1
InChIInChI=1S/C11H15N5S/c1-2-8(9-4-3-5-17-9)15-10-6-11(16-12)14-7-13-10/h3-8H,2,12H2,1H3,(H2,13,14,15,16)
InChIKeyVXMCHSAQKHQIHR-UHFFFAOYSA-N
XLogP2.39
TPSA75.86 Ų
H-Bond Donors3
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.34
LogP ≤ 52.39
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

2-(1-thiophen-2-ylpropylamino)pyridine-4-carbothioamide
CID 54964485
6-N-ethyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781298
5-tert-butyl-N-(1-thiophen-2-ylpropyl)pyridin-2-amine
CID 107874590
6-hydrazinyl-2,5-dimethyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 80896820
6-N-propyl-4-N-(1-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 80781949
2-chloro-6-methyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 62480981
6-hydrazinyl-N-methyl-N-(1-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80905406
2-tert-butyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80961783
6-hydrazinyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80943801
6-N-ethyl-5-propyl-4-N-(1-thiophen-2-ylpropyl)pyrimidine-4,6-diamine
CID 80783925
2-cyclopropyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine
CID 133336493
4-hydrazinyl-6-propan-2-yloxy-N-(1-thiophen-2-ylpropyl)-1,3,5-triazin-2-amine
CID 80901589

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine (CID 80896972) is 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is CCC(Nc1cc(NN)ncn1)c1cccs1.
What is the InChIKey of 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
The InChIKey is VXMCHSAQKHQIHR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15N5S/c1-2-8(9-4-3-5-17-9)15-10-6-11(16-12)14-7-13-10/h3-8H,2,12H2,1H3,(H2,13,14,15,16).
What are the key properties of 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine?
6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine has a molecular weight of 249.34 g/mol, XLogP of 2.39, 5 rotatable bonds, 3 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-(1-thiophen-2-ylpropyl)pyrimidin-4-amine is sourced from PubChem (CID 80896972), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).