N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine

C20H22N6O2 — CID 23478725

IUPACN-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H22N6O2/c1-20(2,3)23-18-17(26(27)28)19(22-14-21-18)24-25(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyYUKRRRCTCYMWHD-UHFFFAOYSA-N
MW378.44 g/mol
LogP4.76
Rot. Bonds6

About N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine

N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (PubChem CID 23478725) has the molecular formula C20H22N6O2 and a molecular weight of 378.44 g/mol. Its IUPAC name is N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
PubChem CID23478725
Molecular FormulaC20H22N6O2
Molecular Weight378.44 g/mol
Exact Mass378.18
IUPAC NameN-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
SMILESCC(C)(C)Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-]
InChIInChI=1S/C20H22N6O2/c1-20(2,3)23-18-17(26(27)28)19(22-14-21-18)24-25(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3,(H2,21,22,23,24)
InChIKeyYUKRRRCTCYMWHD-UHFFFAOYSA-N
XLogP4.76
TPSA96.22 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500378.44
LogP ≤ 54.76
H-Bond Donors ≤ 52
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

2-[6-(2,2-dimethylhydrazinyl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22528078
N-benzyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23488128
6-(2,2-diphenylhydrazinyl)-5-nitro-N-[2-(trifluoromethyl)phenyl]pyrimidin-4-amine
CID 23484207
6-(2,2-diphenylhydrazinyl)-N-(4-methoxyphenyl)-5-nitropyrimidin-4-amine
CID 22530658
2-[6-(azepan-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 23489744
2-[6-(3,5-dimethylpyrazol-1-yl)-5-nitropyrimidin-4-yl]-1,1-diphenylhydrazine
CID 22530763
N-(5-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23485908
N-(4-chloro-2-methylphenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 23485066
N-(3,4-difluorophenyl)-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine
CID 22530733
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-2-methylbenzohydrazide
CID 22530676
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]-4-nitrobenzohydrazide
CID 22530681
N'-[6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-yl]pyridine-4-carbohydrazide
CID 22530692

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine (CID 23478725) is N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is CC(C)(C)Nc1ncnc(NN(c2ccccc2)c2ccccc2)c1[N+](=O)[O-].
What is the InChIKey of N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
The InChIKey is YUKRRRCTCYMWHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H22N6O2/c1-20(2,3)23-18-17(26(27)28)19(22-14-21-18)24-25(15-10-6-4-7-11-15)16-12-8-5-9-13-16/h4-14H,1-3H3,(H2,21,22,23,24).
What are the key properties of N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine?
N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine has a molecular weight of 378.44 g/mol, XLogP of 4.76, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(2,2-diphenylhydrazinyl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23478725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).