N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

C17H28N6O2 — CID 23492021

IUPACN-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCCN(c2ncnc(N(C)C3CCN(C)CC3)c2[N+](=O)[O-])C1
InChIInChI=1S/C17H28N6O2/c1-13-5-4-8-22(11-13)17-15(23(24)25)16(18-12-19-17)21(3)14-6-9-20(2)10-7-14/h12-14H,4-11H2,1-3H3
InChIKeyFUSHBJIJMLMPQW-UHFFFAOYSA-N
MW348.45 g/mol
LogP2.15
Rot. Bonds4

About N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 23492021) has the molecular formula C17H28N6O2 and a molecular weight of 348.45 g/mol. Its IUPAC name is N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID23492021
Molecular FormulaC17H28N6O2
Molecular Weight348.45 g/mol
Exact Mass348.23
IUPAC NameN-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCC1CCCN(c2ncnc(N(C)C3CCN(C)CC3)c2[N+](=O)[O-])C1
InChIInChI=1S/C17H28N6O2/c1-13-5-4-8-22(11-13)17-15(23(24)25)16(18-12-19-17)21(3)14-6-9-20(2)10-7-14/h12-14H,4-11H2,1-3H3
InChIKeyFUSHBJIJMLMPQW-UHFFFAOYSA-N
XLogP2.15
TPSA78.64 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 52.15
H-Bond Donors ≤ 50
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

N-methyl-N-(1-methylpiperidin-4-yl)-5-nitro-6-piperidin-1-ylpyrimidin-4-amine
CID 23489477
1-[6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489697
6-[(3R)-3-methylpiperidin-1-yl]-5-nitropyrimidin-4-amine
CID 7067023
N-(2,3-dichlorophenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491920
4-N,4-N-bis(2-methoxyethyl)-6-N-methyl-6-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine
CID 23493746
6-N-(3,5-dimethylphenyl)-4-N-methyl-4-N-(1-methylpiperidin-4-yl)-5-nitropyrimidine-4,6-diamine
CID 23479545
N-(2-methoxyethyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491955
N-(4-bromophenyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491938
4-N,6-N-dimethyl-4-N-(4-methylcyclohexyl)-5-nitropyrimidine-4,6-diamine
CID 112726545
1-[6-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]azepane
CID 23489699
N-(3-methoxypropyl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23491898
6-hydrazinyl-N-methyl-N-(4-methylcyclohexyl)-5-nitropyrimidin-4-amine
CID 80896563

Frequently Asked Questions

What is the IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 23492021) is N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is CC1CCCN(c2ncnc(N(C)C3CCN(C)CC3)c2[N+](=O)[O-])C1.
What is the InChIKey of N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is FUSHBJIJMLMPQW-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H28N6O2/c1-13-5-4-8-22(11-13)17-15(23(24)25)16(18-12-19-17)21(3)14-6-9-20(2)10-7-14/h12-14H,4-11H2,1-3H3.
What are the key properties of N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 348.45 g/mol, XLogP of 2.15, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-N-(1-methylpiperidin-4-yl)-6-(3-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23492021), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).