N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

C14H23N5O2 — CID 23478680

IUPACN-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H23N5O2/c1-10-5-7-18(8-6-10)13-11(19(20)21)12(15-9-16-13)17-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyVWLDUZSJEJHPLQ-UHFFFAOYSA-N
MW293.37 g/mol
LogP2.83
Rot. Bonds3

About N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 23478680) has the molecular formula C14H23N5O2 and a molecular weight of 293.37 g/mol. Its IUPAC name is N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID23478680
Molecular FormulaC14H23N5O2
Molecular Weight293.37 g/mol
Exact Mass293.19
IUPAC NameN-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])CC1
InChIInChI=1S/C14H23N5O2/c1-10-5-7-18(8-6-10)13-11(19(20)21)12(15-9-16-13)17-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16,17)
InChIKeyVWLDUZSJEJHPLQ-UHFFFAOYSA-N
XLogP2.83
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.37
LogP ≤ 52.83
H-Bond Donors ≤ 51
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-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
N-tert-butyl-6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-amine
CID 23478668
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
1,1-dimethyl-2-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 23492262
N-ethyl-6-(4-methylazepan-1-yl)-5-nitropyrimidin-4-amine
CID 80833797
N-(3,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23479397
6-(4-methylazepan-1-yl)-5-nitro-N-propylpyrimidin-4-amine
CID 80816853
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
6-(4-methylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492263
5-methyl-N-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]-1,2-oxazol-3-amine
CID 23478920
6-(4-methylpiperidin-1-yl)-N-(3-morpholin-4-ylpropyl)-5-nitropyrimidin-4-amine
CID 23492249
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 23487046

Frequently Asked Questions

What is the IUPAC name of N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 23478680) is N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is CC1CCN(c2ncnc(NC(C)(C)C)c2[N+](=O)[O-])CC1.
What is the InChIKey of N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is VWLDUZSJEJHPLQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N5O2/c1-10-5-7-18(8-6-10)13-11(19(20)21)12(15-9-16-13)17-14(2,3)4/h9-10H,5-8H2,1-4H3,(H,15,16,17).
What are the key properties of N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 293.37 g/mol, XLogP of 2.83, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23478680), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).