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

C20H21N5O2 — CID 23492258

IUPAC6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2ncnc(Nc3cccc4ccccc34)c2[N+](=O)[O-])CC1
InChIInChI=1S/C20H21N5O2/c1-14-9-11-24(12-10-14)20-18(25(26)27)19(21-13-22-20)23-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,13-14H,9-12H2,1H3,(H,21,22,23)
InChIKeyWXLAWHWDAVXOKL-UHFFFAOYSA-N
MW363.42 g/mol
LogP4.52
Rot. Bonds4

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

6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine (PubChem CID 23492258) has the molecular formula C20H21N5O2 and a molecular weight of 363.42 g/mol. Its IUPAC name is 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
PubChem CID23492258
Molecular FormulaC20H21N5O2
Molecular Weight363.42 g/mol
Exact Mass363.17
IUPAC Name6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
SMILESCC1CCN(c2ncnc(Nc3cccc4ccccc34)c2[N+](=O)[O-])CC1
InChIInChI=1S/C20H21N5O2/c1-14-9-11-24(12-10-14)20-18(25(26)27)19(21-13-22-20)23-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,13-14H,9-12H2,1H3,(H,21,22,23)
InChIKeyWXLAWHWDAVXOKL-UHFFFAOYSA-N
XLogP4.52
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.42
LogP ≤ 54.52
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-(2-ethoxyphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492382
1,1-dimethyl-2-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]hydrazine
CID 23492262
N-ethyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23487085
N-(3,5-dimethylphenyl)-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23479397
6-N-naphthalen-1-yl-5-nitro-4-N-quinolin-8-ylpyrimidine-4,6-diamine
CID 22527211
N-tert-butyl-6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23478680
2-methyl-N-[6-(4-methylpiperazin-1-yl)-5-nitropyrimidin-4-yl]quinolin-5-amine
CID 23490235
6-(4-methylpiperidin-1-yl)-5-nitro-N-(1-phenylethyl)pyrimidin-4-amine
CID 23492263
6-(4-methylpiperidin-1-yl)-5-nitro-N-propan-2-ylpyrimidin-4-amine
CID 23487487
6-(2,2-dimethylhydrazinyl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine
CID 22527503
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491920
6-(4-benzylpiperidin-1-yl)-N-(2-bromophenyl)-5-nitropyrimidin-4-amine
CID 23491395

Frequently Asked Questions

What is the IUPAC name of 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The IUPAC name of 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine (CID 23492258) is 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine is CC1CCN(c2ncnc(Nc3cccc4ccccc34)c2[N+](=O)[O-])CC1.
What is the InChIKey of 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
The InChIKey is WXLAWHWDAVXOKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H21N5O2/c1-14-9-11-24(12-10-14)20-18(25(26)27)19(21-13-22-20)23-17-8-4-6-15-5-2-3-7-16(15)17/h2-8,13-14H,9-12H2,1H3,(H,21,22,23).
What are the key properties of 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine?
6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine has a molecular weight of 363.42 g/mol, XLogP of 4.52, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-methylpiperidin-1-yl)-N-naphthalen-1-yl-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23492258), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).