2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

C19H25N5O2 — CID 42642203

IUPAC2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ccnc(-c3ccccc3[N+](=O)[O-])n2)CC(C)(C)N1
InChIInChI=1S/C19H25N5O2/c1-18(2)11-13(12-19(3,4)23-18)21-16-9-10-20-17(22-16)14-7-5-6-8-15(14)24(25)26/h5-10,13,23H,11-12H2,1-4H3,(H,20,21,22)
InChIKeyGVTYDXMKWCHAKJ-UHFFFAOYSA-N
MW355.44 g/mol
LogP3.77
Rot. Bonds4

About 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine

2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (PubChem CID 42642203) has the molecular formula C19H25N5O2 and a molecular weight of 355.44 g/mol. Its IUPAC name is 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
PubChem CID42642203
Molecular FormulaC19H25N5O2
Molecular Weight355.44 g/mol
Exact Mass355.20
IUPAC Name2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
SMILESCC1(C)CC(Nc2ccnc(-c3ccccc3[N+](=O)[O-])n2)CC(C)(C)N1
InChIInChI=1S/C19H25N5O2/c1-18(2)11-13(12-19(3,4)23-18)21-16-9-10-20-17(22-16)14-7-5-6-8-15(14)24(25)26/h5-10,13,23H,11-12H2,1-4H3,(H,20,21,22)
InChIKeyGVTYDXMKWCHAKJ-UHFFFAOYSA-N
XLogP3.77
TPSA92.98 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500355.44
LogP ≤ 53.77
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

N-methyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62191141
2-(2-phenylethyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 42640854
N-methyl-1-[2-(2-nitrophenyl)pyrimidin-4-yl]methanamine
CID 55109588
5-nitro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]-1H-pyrimidin-6-one
CID 135585560
N-[[2-(2-nitrophenyl)pyrimidin-4-yl]methyl]ethanamine
CID 62748621
4-(dimethoxymethyl)-2-(2-nitrophenyl)pyrimidine
CID 115531749
1-[3-nitro-4-[(2,2,6,6-tetramethylpiperidin-4-yl)amino]phenyl]ethanone
CID 18144595
4-nitro-N-(2,2,6,6-tetramethylpiperidin-4-yl)-2,1,3-benzoxadiazol-7-amine
CID 11580555
5-nitro-6-N-quinolin-5-yl-4-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidine-4,6-diamine
CID 22528430
2-[2-(3-fluorophenyl)ethyl]-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine
CID 42640959
6-methoxy-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyridin-2-amine;hydrochloride
CID 68708937
N,6-dimethyl-2-(2-nitrophenyl)pyrimidin-4-amine
CID 62190534

Frequently Asked Questions

What is the IUPAC name of 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The IUPAC name of 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine (CID 42642203) is 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is CC1(C)CC(Nc2ccnc(-c3ccccc3[N+](=O)[O-])n2)CC(C)(C)N1.
What is the InChIKey of 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
The InChIKey is GVTYDXMKWCHAKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H25N5O2/c1-18(2)11-13(12-19(3,4)23-18)21-16-9-10-20-17(22-16)14-7-5-6-8-15(14)24(25)26/h5-10,13,23H,11-12H2,1-4H3,(H,20,21,22).
What are the key properties of 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine?
2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine has a molecular weight of 355.44 g/mol, XLogP of 3.77, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-nitrophenyl)-N-(2,2,6,6-tetramethylpiperidin-4-yl)pyrimidin-4-amine is sourced from PubChem (CID 42642203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).