6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine

C14H17ClN6O2 — CID 22532548

IUPAC6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17ClN6O2/c1-14(2,3)20-19-13-11(21(22)23)12(16-8-17-13)18-10-6-4-5-9(15)7-10/h4-8,20H,1-3H3,(H2,16,17,18,19)
InChIKeyDHZYPQGGEGIHTJ-UHFFFAOYSA-N
MW336.78 g/mol
LogP3.50
Rot. Bonds5

About 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine

6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine (PubChem CID 22532548) has the molecular formula C14H17ClN6O2 and a molecular weight of 336.78 g/mol. Its IUPAC name is 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine
PubChem CID22532548
Molecular FormulaC14H17ClN6O2
Molecular Weight336.78 g/mol
Exact Mass336.11
IUPAC Name6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-]
InChIInChI=1S/C14H17ClN6O2/c1-14(2,3)20-19-13-11(21(22)23)12(16-8-17-13)18-10-6-4-5-9(15)7-10/h4-8,20H,1-3H3,(H2,16,17,18,19)
InChIKeyDHZYPQGGEGIHTJ-UHFFFAOYSA-N
XLogP3.50
TPSA105.01 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500336.78
LogP ≤ 53.50
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-(2,4-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 22534157
4-N-(3-chlorophenyl)-5-nitro-6-N-(3-nitrophenyl)pyrimidine-4,6-diamine
CID 22532492
4-N-(3-chlorophenyl)-5-nitro-6-N-propylpyrimidine-4,6-diamine
CID 23487347
4-N-(3-chlorophenyl)-5-nitro-6-N-pyridin-4-ylpyrimidine-4,6-diamine
CID 23482003
6-N-(3-chlorophenyl)-4-N-(3,4-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532574
6-N-(3-chlorophenyl)-4-N-(2-methylphenyl)-5-nitropyrimidine-4,6-diamine
CID 22531902
6-(2-tert-butylhydrazinyl)-N-(2,3-dichlorophenyl)-5-nitropyrimidin-4-amine
CID 22530966
6-(2-tert-butylhydrazinyl)-5-nitro-N-(4-propan-2-ylphenyl)pyrimidin-4-amine
CID 23486602
N-(4-bromophenyl)-6-(2-tert-butylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22533105
6-N-(3-chlorophenyl)-4-N-(2,5-difluorophenyl)-5-nitropyrimidine-4,6-diamine
CID 22532572
6-N-(3-chlorophenyl)-5-nitro-4-N-(1,3-thiazol-2-yl)pyrimidine-4,6-diamine
CID 22531660
N'-[6-(3-chloroanilino)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22532517

Frequently Asked Questions

What is the IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine (CID 22532548) is 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine is CC(C)(C)NNc1ncnc(Nc2cccc(Cl)c2)c1[N+](=O)[O-].
What is the InChIKey of 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine?
The InChIKey is DHZYPQGGEGIHTJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H17ClN6O2/c1-14(2,3)20-19-13-11(21(22)23)12(16-8-17-13)18-10-6-4-5-9(15)7-10/h4-8,20H,1-3H3,(H2,16,17,18,19).
What are the key properties of 6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine?
6-(2-tert-butylhydrazinyl)-N-(3-chlorophenyl)-5-nitropyrimidin-4-amine has a molecular weight of 336.78 g/mol, XLogP of 3.50, 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-(3-chlorophenyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 22532548), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).