N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine

C11H14N6O2S — CID 106013089

IUPACN-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(NN)ncc2[N+](=O)[O-])s1
InChIInChI=1S/C11H14N6O2S/c1-2-7-3-4-8(20-7)5-13-10-9(17(18)19)6-14-11(15-10)16-12/h3-4,6H,2,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyCNQCAFCNULRWJI-UHFFFAOYSA-N
MW294.34 g/mol
LogP1.91
Rot. Bonds6

About N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine

N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine (PubChem CID 106013089) has the molecular formula C11H14N6O2S and a molecular weight of 294.34 g/mol. Its IUPAC name is N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
PubChem CID106013089
Molecular FormulaC11H14N6O2S
Molecular Weight294.34 g/mol
Exact Mass294.09
IUPAC NameN-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
SMILESCCc1ccc(CNc2nc(NN)ncc2[N+](=O)[O-])s1
InChIInChI=1S/C11H14N6O2S/c1-2-7-3-4-8(20-7)5-13-10-9(17(18)19)6-14-11(15-10)16-12/h3-4,6H,2,5,12H2,1H3,(H2,13,14,15,16)
InChIKeyCNQCAFCNULRWJI-UHFFFAOYSA-N
XLogP1.91
TPSA119.00 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.34
LogP ≤ 51.91
H-Bond Donors ≤ 53
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-[(5-ethylthiophen-2-yl)methyl]-5-nitropyrimidin-2-amine
CID 113434398
2-hydrazinyl-N-[(2-methylpyrazol-3-yl)methyl]-5-nitropyrimidin-4-amine
CID 114045034
2-hydrazinyl-5-nitro-N-(pyridazin-3-ylmethyl)pyrimidin-4-amine
CID 114045249
N-[(1,5-dimethylpyrazol-4-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine
CID 106043390
2-hydrazinyl-5-nitro-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 114045169
3-[(2-hydrazinyl-5-nitropyrimidin-4-yl)amino]-N,2,2-trimethylpropanamide
CID 106280909
2-N-ethyl-4-N-[(5-ethylthiophen-2-yl)methyl]-5-fluoropyrimidine-2,4-diamine
CID 106015477
5-bromo-2-hydrazinyl-N-[(5-methylthiophen-2-yl)methyl]pyrimidin-4-amine
CID 80907879
4-N-[(5-ethyl-1,3-oxazol-2-yl)methyl]-2-N-methyl-5-nitropyrimidine-2,4-diamine
CID 106378473
5-bromo-N-[(5-bromothiophen-2-yl)methyl]-2-hydrazinylpyrimidin-4-amine
CID 80911404
N-[(5-ethyl-1,3-thiazol-2-yl)methyl]-6-methyl-3-nitropyridin-2-amine
CID 103780073
5-nitro-4-N-(1,2,4-oxadiazol-3-ylmethyl)-2-N-propylpyrimidine-2,4-diamine
CID 106411838

Frequently Asked Questions

What is the IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
The IUPAC name of N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine (CID 106013089) is N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
The canonical SMILES for N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine is CCc1ccc(CNc2nc(NN)ncc2[N+](=O)[O-])s1.
What is the InChIKey of N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
The InChIKey is CNQCAFCNULRWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N6O2S/c1-2-7-3-4-8(20-7)5-13-10-9(17(18)19)6-14-11(15-10)16-12/h3-4,6H,2,5,12H2,1H3,(H2,13,14,15,16).
What are the key properties of N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine?
N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine has a molecular weight of 294.34 g/mol, XLogP of 1.91, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(5-ethylthiophen-2-yl)methyl]-2-hydrazinyl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 106013089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).