N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine

C12H22N6O2 — CID 22537563

IUPACN-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCCC(C)Nc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H22N6O2/c1-6-8(2)15-10-9(18(19)20)11(14-7-13-10)16-17-12(3,4)5/h7-8,17H,6H2,1-5H3,(H2,13,14,15,16)
InChIKeyRVEHNLMJPXNSAD-UHFFFAOYSA-N
MW282.35 g/mol
LogP2.31
Rot. Bonds6

About N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine

N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 22537563) has the molecular formula C12H22N6O2 and a molecular weight of 282.35 g/mol. Its IUPAC name is N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID22537563
Molecular FormulaC12H22N6O2
Molecular Weight282.35 g/mol
Exact Mass282.18
IUPAC NameN-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCCC(C)Nc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-]
InChIInChI=1S/C12H22N6O2/c1-6-8(2)15-10-9(18(19)20)11(14-7-13-10)16-17-12(3,4)5/h7-8,17H,6H2,1-5H3,(H2,13,14,15,16)
InChIKeyRVEHNLMJPXNSAD-UHFFFAOYSA-N
XLogP2.31
TPSA105.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.35
LogP ≤ 52.31
H-Bond Donors ≤ 53
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

4-N-butan-2-yl-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 23487237
6-(2-tert-butylhydrazinyl)-5-nitro-N-propylpyrimidin-4-amine
CID 23487405
4-N-butan-2-yl-6-N-(3-methylbutyl)-5-nitropyrimidine-4,6-diamine
CID 22537941
N-butan-2-yl-5-nitro-6-[2-(4-nitrophenyl)hydrazinyl]pyrimidin-4-amine
CID 22526890
N-butan-2-yl-6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22528185
N-butyl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23486807
6-(2-tert-butylhydrazinyl)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 23486602
N'-[6-(butan-2-ylamino)-5-nitropyrimidin-4-yl]-4-methylbenzohydrazide
CID 22535140
6-(2-tert-butylhydrazinyl)-N-(2-ethylphenyl)-5-nitropyrimidin-4-amine
CID 23482737
4-N-[1-(diethylamino)propan-2-yl]-6-N-ethyl-5-nitropyrimidine-4,6-diamine
CID 80795062
6-(2-tert-butylhydrazinyl)-N-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 22526414
4-[[6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-yl]amino]benzoic acid
CID 22537571

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine (CID 22537563) is N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine is CCC(C)Nc1ncnc(NNC(C)(C)C)c1[N+](=O)[O-].
What is the InChIKey of N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is RVEHNLMJPXNSAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H22N6O2/c1-6-8(2)15-10-9(18(19)20)11(14-7-13-10)16-17-12(3,4)5/h7-8,17H,6H2,1-5H3,(H2,13,14,15,16).
What are the key properties of N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine?
N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 282.35 g/mol, XLogP of 2.31, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22537563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).