6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine

C14H16Cl2N6O2 — CID 22534157

IUPAC6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H16Cl2N6O2/c1-14(2,3)21-20-13-11(22(23)24)12(17-7-18-13)19-10-5-4-8(15)6-9(10)16/h4-7,21H,1-3H3,(H2,17,18,19,20)
InChIKeyVBNQJSIQCRBQIJ-UHFFFAOYSA-N
MW371.23 g/mol
LogP4.15
Rot. Bonds5

About 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine

6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine (PubChem CID 22534157) has the molecular formula C14H16Cl2N6O2 and a molecular weight of 371.23 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine
PubChem CID22534157
Molecular FormulaC14H16Cl2N6O2
Molecular Weight371.23 g/mol
Exact Mass370.07
IUPAC Name6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-]
InChIInChI=1S/C14H16Cl2N6O2/c1-14(2,3)21-20-13-11(22(23)24)12(17-7-18-13)19-10-5-4-8(15)6-9(10)16/h4-7,21H,1-3H3,(H2,17,18,19,20)
InChIKeyVBNQJSIQCRBQIJ-UHFFFAOYSA-N
XLogP4.15
TPSA105.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500371.23
LogP ≤ 54.15
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

6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine
CID 22532548
4-N-(2,4-dichlorophenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487362
6-(2-tert-butylhydrazinyl)-N-(2,3-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 22530966
4-N-(2,4-dichlorophenyl)-6-N-(4-iodophenyl)-5-nitropyrimidine-4,6-diamine
CID 22533172
4-N-cyclohexyl-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 23487762
4-N-[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22534207
4-N-(5-bromo-2-pyridinyl)-6-N-(2,4-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22531303
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]pyridine-2-carbohydrazide
CID 22534144
6-(2-tert-butylhydrazinyl)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 23486602
6-N-(2-chlorophenyl)-4-N-(2,5-dichlorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22530775
N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22533105
N'-[6-(2,4-dichloroanilino)-5-nitropyrimidin-4-yl]-4-methoxybenzohydrazide
CID 22534141

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine (CID 22534157) is 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine is CC(C)(C)NNc1ncnc(Nc2ccc(Cl)cc2Cl)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine?
The InChIKey is VBNQJSIQCRBQIJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H16Cl2N6O2/c1-14(2,3)21-20-13-11(22(23)24)12(17-7-18-13)19-10-5-4-8(15)6-9(10)16/h4-7,21H,1-3H3,(H2,17,18,19,20).
What are the key properties of 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine?
6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine has a molecular weight of 371.23 g/mol, XLogP of 4.15, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-tert-butylhydrazinyl)-N-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22534157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).