N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

C10H11N5O2S — CID 79819985

IUPACN-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1ncnc(Cc2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2S/c1-2-11-10-9(15(16)17)7(13-6-14-10)5-8-12-3-4-18-8/h3-4,6H,2,5H2,1H3,(H,11,13,14)
InChIKeyFXENZJBEJVIFOZ-UHFFFAOYSA-N
MW265.30 g/mol
LogP1.86
Rot. Bonds5

About N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine

N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (PubChem CID 79819985) has the molecular formula C10H11N5O2S and a molecular weight of 265.30 g/mol. Its IUPAC name is N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
PubChem CID79819985
Molecular FormulaC10H11N5O2S
Molecular Weight265.30 g/mol
Exact Mass265.06
IUPAC NameN-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
SMILESCCNc1ncnc(Cc2nccs2)c1[N+](=O)[O-]
InChIInChI=1S/C10H11N5O2S/c1-2-11-10-9(15(16)17)7(13-6-14-10)5-8-12-3-4-18-8/h3-4,6H,2,5H2,1H3,(H,11,13,14)
InChIKeyFXENZJBEJVIFOZ-UHFFFAOYSA-N
XLogP1.86
TPSA93.84 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.30
LogP ≤ 51.86
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'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-[(1-methylimidazol-2-yl)methyl]-5-nitropyrimidin-4-amine
CID 79738662
5-ethyl-N-propyl-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine
CID 79819683
6-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80841300
6-N-ethyl-5-nitro-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80772884
6-N-methyl-5-nitro-4-N-[2-(1,3-thiazol-2-yl)propyl]pyrimidine-4,6-diamine
CID 104577302
N-(6-ethoxy-5-nitropyrimidin-4-yl)-1,3-thiazol-2-amine
CID 22531713
N-ethyl-5,6-dimethyl-3-(1,3-thiazol-2-ylmethyl)pyrazin-2-amine
CID 79820460
4-N-butan-2-yl-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487237
N-ethyl-5-nitro-6-(thiophen-2-ylmethoxy)pyrimidin-4-amine
CID 80873175
6-(2-ethoxyethoxy)-N-ethyl-5-nitropyrimidin-4-amine
CID 80858662
2-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855728
6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
CID 80848846

Frequently Asked Questions

What is the IUPAC name of N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The IUPAC name of N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine (CID 79819985) is N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine.
What is the SMILES notation for N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The canonical SMILES for N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is CCNc1ncnc(Cc2nccs2)c1[N+](=O)[O-].
What is the InChIKey of N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
The InChIKey is FXENZJBEJVIFOZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H11N5O2S/c1-2-11-10-9(15(16)17)7(13-6-14-10)5-8-12-3-4-18-8/h3-4,6H,2,5H2,1H3,(H,11,13,14).
What are the key properties of N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine?
N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine has a molecular weight of 265.30 g/mol, XLogP of 1.86, 5 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-5-nitro-6-(1,3-thiazol-2-ylmethyl)pyrimidin-4-amine is sourced from PubChem (CID 79819985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).