N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine

C10H16N4O2 — CID 63199835

IUPACN-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine
SMILESCCCC(Cc1ncc([N+](=O)[O-])cn1)NC
InChIInChI=1S/C10H16N4O2/c1-3-4-8(11-2)5-10-12-6-9(7-13-10)14(15)16/h6-8,11H,3-5H2,1-2H3
InChIKeyCMXFFYQOGBWVMD-UHFFFAOYSA-N
MW224.26 g/mol
LogP1.32
Rot. Bonds6

About N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine

N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine (PubChem CID 63199835) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine.

Molecular Properties

Compound NameN-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine
PubChem CID63199835
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC NameN-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine
SMILESCCCC(Cc1ncc([N+](=O)[O-])cn1)NC
InChIInChI=1S/C10H16N4O2/c1-3-4-8(11-2)5-10-12-6-9(7-13-10)14(15)16/h6-8,11H,3-5H2,1-2H3
InChIKeyCMXFFYQOGBWVMD-UHFFFAOYSA-N
XLogP1.32
TPSA80.95 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 51.32
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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

1-(5-nitropyrimidin-2-yl)-N-propylbutan-2-amine
CID 63202169
5-nitro-N-octan-4-ylpyrimidin-2-amine
CID 104626135
1-(2,4-dinitrophenyl)-N-methylpentan-2-amine
CID 63199546
N-hexan-3-yl-3-methyl-5-nitropyridin-2-amine
CID 62476877
N-methyl-1-(4-methylsulfonyl-2-nitrophenyl)pentan-2-amine
CID 63199545
N-methyl-1-(2-methyl-6-nitrophenyl)pentan-2-amine
CID 115554130
2-(5-nitropyrimidin-2-yl)acetonitrile
CID 63204082
2-(2-bromo-2-phenylethyl)-5-nitropyrimidine
CID 63202569
N-methyl-1-(2-methyl-4-nitro-5-propan-2-ylpyrazol-3-yl)pentan-2-amine
CID 66013524
5-nitro-N-octan-2-ylpyrimidin-2-amine
CID 54958890
1-(5-nitropyrimidin-2-yl)propan-2-one
CID 63198896
1-(4-nitrophenyl)-N-propylpentan-2-amine
CID 55138222

Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine?
The IUPAC name of N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine (CID 63199835) is N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine.
What is the SMILES notation for N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine?
The canonical SMILES for N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine is CCCC(Cc1ncc([N+](=O)[O-])cn1)NC.
What is the InChIKey of N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine?
The InChIKey is CMXFFYQOGBWVMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-3-4-8(11-2)5-10-12-6-9(7-13-10)14(15)16/h6-8,11H,3-5H2,1-2H3.
What are the key properties of N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine?
N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine has a molecular weight of 224.26 g/mol, XLogP of 1.32, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitropyrimidin-2-yl)pentan-2-amine is sourced from PubChem (CID 63199835), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).