N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

C11H17N5O2 — CID 23486885

IUPACN-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(N2CCCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2/c1-8-5-3-4-6-15(8)11-9(16(17)18)10(12-2)13-7-14-11/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyLTNPPYWFZMLUIV-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.81
Rot. Bonds3

About N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine

N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 23486885) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound NameN-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID23486885
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC NameN-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCNc1ncnc(N2CCCCC2C)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2/c1-8-5-3-4-6-15(8)11-9(16(17)18)10(12-2)13-7-14-11/h7-8H,3-6H2,1-2H3,(H,12,13,14)
InChIKeyLTNPPYWFZMLUIV-UHFFFAOYSA-N
XLogP1.81
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.81
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

6-(2-methylpiperidin-1-yl)-5-nitro-N-prop-2-enylpyrimidin-4-amine
CID 23487885
N-(4-chlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492114
6-(2-methylpiperidin-1-yl)-N-(4-methyl-2-pyridinyl)-5-nitropyrimidin-4-amine
CID 23483725
N-(2-bromophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492107
N-(3,4-dichlorophenyl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23485443
6-[2-[(dimethylamino)methyl]pyrrolidin-1-yl]-N-methyl-5-nitropyrimidin-4-amine
CID 80823234
4-chloro-6-(2-methylpyrrolidin-1-yl)-5-nitropyrimidine
CID 62102665
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
CID 23492094
2-methyl-N-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]quinolin-8-amine
CID 23492081
N'-[6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-yl]pyridine-3-carbohydrazide
CID 23492154
1-[6-(methylamino)-5-nitropyrimidin-4-yl]piperidine-4-carboxylic acid
CID 23487046
4-(2-methylpiperidin-1-yl)-5-nitro-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidine
CID 23492185

Frequently Asked Questions

What is the IUPAC name of N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 23486885) is N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is CNc1ncnc(N2CCCCC2C)c1[N+](=O)[O-].
What is the InChIKey of N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is LTNPPYWFZMLUIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-8-5-3-4-6-15(8)11-9(16(17)18)10(12-2)13-7-14-11/h7-8H,3-6H2,1-2H3,(H,12,13,14).
What are the key properties of N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 1.81, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-6-(2-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 23486885), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).