6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

C11H14N6O2S — CID 80929408

IUPAC6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1cccs1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2S/c1-16(5-4-8-3-2-6-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h2-3,6-7H,4-5,12H2,1H3,(H,13,14,15)
InChIKeyBVVSQTJUZLUZQN-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.41
Rot. Bonds6

About 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine

6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (PubChem CID 80929408) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
PubChem CID80929408
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC Name6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
SMILESCN(CCc1cccs1)c1ncnc(NN)c1[N+](=O)[O-]
InChIInChI=1S/C11H14N6O2S/c1-16(5-4-8-3-2-6-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h2-3,6-7H,4-5,12H2,1H3,(H,13,14,15)
InChIKeyBVVSQTJUZLUZQN-UHFFFAOYSA-N
XLogP1.41
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 ≤ 51.41
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

N-ethyl-6-hydrazinyl-5-nitro-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80896019
6-hydrazinyl-N-methyl-5-propyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 80929501
2-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]ethanol
CID 80943199
4-N-benzyl-4-N-methyl-5-nitro-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,6-diamine
CID 23478125
3-[(6-hydrazinyl-5-nitropyrimidin-4-yl)-methylamino]propanenitrile
CID 80916272
N-[(2-chlorophenyl)methyl]-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80898821
N-[(2-fluorophenyl)methyl]-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80898186
N-[(2-bromophenyl)methyl]-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899819
N-(cyclopropylmethyl)-6-hydrazinyl-N-methyl-5-nitropyrimidin-4-amine
CID 80899454
6-hydrazinyl-N-methyl-5-nitro-N-(2-pyrrolidin-1-ylethyl)pyrimidin-4-amine
CID 80914009
6-hydrazinyl-N,5-dimethyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80907283
6-hydrazinyl-N-methyl-5-propyl-N-(thiophen-2-ylmethyl)pyrimidin-4-amine
CID 80905798

Frequently Asked Questions

What is the IUPAC name of 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The IUPAC name of 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine (CID 80929408) is 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The canonical SMILES for 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is CN(CCc1cccs1)c1ncnc(NN)c1[N+](=O)[O-].
What is the InChIKey of 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
The InChIKey is BVVSQTJUZLUZQN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-16(5-4-8-3-2-6-20-8)11-9(17(18)19)10(15-12)13-7-14-11/h2-3,6-7H,4-5,12H2,1H3,(H,13,14,15).
What are the key properties of 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine?
6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine has a molecular weight of 294.34 g/mol, XLogP of 1.41, 6 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 6-hydrazinyl-N-methyl-5-nitro-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine is sourced from PubChem (CID 80929408), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).