6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine

C13H21N5O2 — CID 80848846

IUPAC6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2C(C)(C)C2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H21N5O2/c1-6-14-9-8(18(19)20)10(16-7-15-9)17-11-12(2,3)13(11,4)5/h7,11H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeyORENGFPGXQFRIR-UHFFFAOYSA-N
MW279.34 g/mol
LogP2.66
Rot. Bonds5

About 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine

6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine (PubChem CID 80848846) has the molecular formula C13H21N5O2 and a molecular weight of 279.34 g/mol. Its IUPAC name is 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine.

Molecular Properties

Compound Name6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
PubChem CID80848846
Molecular FormulaC13H21N5O2
Molecular Weight279.34 g/mol
Exact Mass279.17
IUPAC Name6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
SMILESCCNc1ncnc(NC2C(C)(C)C2(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C13H21N5O2/c1-6-14-9-8(18(19)20)10(16-7-15-9)17-11-12(2,3)13(11,4)5/h7,11H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeyORENGFPGXQFRIR-UHFFFAOYSA-N
XLogP2.66
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.34
LogP ≤ 52.66
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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

6-N,5-diethyl-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine
CID 80848453
4-N-(2-cyclopentylethyl)-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80791882
6-N-ethyl-4-N-(3-ethylpentan-3-yl)-5-nitropyrimidine-4,6-diamine
CID 80841300
4-N-butan-2-yl-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487237
[1-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]cyclopentyl]methanol
CID 80832991
2-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855728
5-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-1-methylpiperidin-2-one
CID 80826875
6-N-ethyl-5-nitro-4-N-(pyridin-4-ylmethyl)pyrimidine-4,6-diamine
CID 80772884
6-N-ethyl-5-nitro-4-N-[2-(oxolan-2-yl)ethyl]pyrimidine-4,6-diamine
CID 80812756
4-N-cyclopentyl-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487432
6-N-ethyl-4-N-(4-fluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487152
2-[[6-(ethylamino)-5-nitropyrimidin-4-yl]amino]-2-methylbutan-1-ol
CID 80843668

Frequently Asked Questions

What is the IUPAC name of 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine?
The IUPAC name of 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine (CID 80848846) is 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine.
What is the SMILES notation for 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine?
The canonical SMILES for 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine is CCNc1ncnc(NC2C(C)(C)C2(C)C)c1[N+](=O)[O-].
What is the InChIKey of 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine?
The InChIKey is ORENGFPGXQFRIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N5O2/c1-6-14-9-8(18(19)20)10(16-7-15-9)17-11-12(2,3)13(11,4)5/h7,11H,6H2,1-5H3,(H2,14,15,16,17).
What are the key properties of 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine?
6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine has a molecular weight of 279.34 g/mol, XLogP of 2.66, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-ethyl-5-nitro-4-N-(2,2,3,3-tetramethylcyclopropyl)pyrimidine-4,6-diamine is sourced from PubChem (CID 80848846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).