N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine

C10H15N5O2 — CID 62546025

IUPACN-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ncc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C10H15N5O2/c1-11-8-3-2-4-14(7-8)10-12-5-9(6-13-10)15(16)17/h5-6,8,11H,2-4,7H2,1H3
InChIKeySHCUBLGSNDFGSV-UHFFFAOYSA-N
MW237.26 g/mol
LogP0.57
Rot. Bonds3

About N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine

N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine (PubChem CID 62546025) has the molecular formula C10H15N5O2 and a molecular weight of 237.26 g/mol. Its IUPAC name is N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine.

Molecular Properties

Compound NameN-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
PubChem CID62546025
Molecular FormulaC10H15N5O2
Molecular Weight237.26 g/mol
Exact Mass237.12
IUPAC NameN-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine
SMILESCNC1CCCN(c2ncc([N+](=O)[O-])cn2)C1
InChIInChI=1S/C10H15N5O2/c1-11-8-3-2-4-14(7-8)10-12-5-9(6-13-10)15(16)17/h5-6,8,11H,2-4,7H2,1H3
InChIKeySHCUBLGSNDFGSV-UHFFFAOYSA-N
XLogP0.57
TPSA84.19 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.26
LogP ≤ 50.57
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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Frequently Asked Questions

What is the IUPAC name of N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine?
The IUPAC name of N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine (CID 62546025) is N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine.
What is the SMILES notation for N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine?
The canonical SMILES for N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine is CNC1CCCN(c2ncc([N+](=O)[O-])cn2)C1.
What is the InChIKey of N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine?
The InChIKey is SHCUBLGSNDFGSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N5O2/c1-11-8-3-2-4-14(7-8)10-12-5-9(6-13-10)15(16)17/h5-6,8,11H,2-4,7H2,1H3.
What are the key properties of N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine?
N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine has a molecular weight of 237.26 g/mol, XLogP of 0.57, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-methyl-1-(5-nitropyrimidin-2-yl)piperidin-3-amine is sourced from PubChem (CID 62546025), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).