N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

C11H14N6O2S — CID 80896019

IUPACN-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2S/c1-2-16(6-8-4-3-5-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h3-5,7H,2,6,12H2,1H3,(H,13,14,15)
InChIKeyIAFBFLVZICZKRH-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.76
Rot. Bonds6

About N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine

N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (PubChem CID 80896019) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
PubChem CID80896019
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC NameN-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
SMILESCCN(Cc1cccs1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2S/c1-2-16(6-8-4-3-5-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h3-5,7H,2,6,12H2,1H3,(H,13,14,15)
InChIKeyIAFBFLVZICZKRH-UHFFFAOYSA-N
XLogP1.76
TPSA110.21 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'hydrazine', 'substructure': 'N/A'}, {'alert_name': 'nitro_group', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Related Compounds

6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929408
N-ethyl-6-hydrazinyl-5-nitro-N-propylpyrimidin-4-amine
CID 80943828
3-[ethyl-(6-hydrazinyl-5-nitropyrimidin-4-yl)amino]propanenitrile
CID 80905442
6-hydrazinyl-N,N-bis(2-methylpropyl)-5-nitropyrimidin-4-amine
CID 23493001
N-ethyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-2-amine
CID 133468172
4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 79915736
6-chloro-4-N-ethyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,5-diamine
CID 63023419
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
4-N-benzyl-4-N-methyl-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 23478125
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798
N,N-bis(cyclopropylmethyl)-6-hydrazinyl-5-nitropyrimidin-4-amine
CID 80905890
5-nitro-6-N-propyl-4-N-(thiophen-2-ylmethyl)pyrimidine-4,6-diamine
CID 80771549

Frequently Asked Questions

What is the IUPAC name of N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine (CID 80896019) is N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is CCN(Cc1cccs1)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is IAFBFLVZICZKRH-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-2-16(6-8-4-3-5-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h3-5,7H,2,6,12H2,1H3,(H,13,14,15).
What are the key properties of N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine?
N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 294.34 g/mol, XLogP of 1.76, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 80896019), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).