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

C11H17N5O2 — CID 2940089

IUPAC6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCc1nc(N2CCC(C)CC2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2/c1-7-3-5-15(6-4-7)11-13-8(2)9(16(17)18)10(12)14-11/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyZVOGSHACNRBWGD-UHFFFAOYSA-N
MW251.29 g/mol
LogP1.51
Rot. Bonds2

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

6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (PubChem CID 2940089) has the molecular formula C11H17N5O2 and a molecular weight of 251.29 g/mol. Its IUPAC name is 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.

Molecular Properties

Compound Name6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
PubChem CID2940089
Molecular FormulaC11H17N5O2
Molecular Weight251.29 g/mol
Exact Mass251.14
IUPAC Name6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine
SMILESCc1nc(N2CCC(C)CC2)nc(N)c1[N+](=O)[O-]
InChIInChI=1S/C11H17N5O2/c1-7-3-5-15(6-4-7)11-13-8(2)9(16(17)18)10(12)14-11/h7H,3-6H2,1-2H3,(H2,12,13,14)
InChIKeyZVOGSHACNRBWGD-UHFFFAOYSA-N
XLogP1.51
TPSA98.18 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 51.51
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 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The IUPAC name of 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine (CID 2940089) is 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine.
What is the SMILES notation for 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The canonical SMILES for 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is Cc1nc(N2CCC(C)CC2)nc(N)c1[N+](=O)[O-].
What is the InChIKey of 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
The InChIKey is ZVOGSHACNRBWGD-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N5O2/c1-7-3-5-15(6-4-7)11-13-8(2)9(16(17)18)10(12)14-11/h7H,3-6H2,1-2H3,(H2,12,13,14).
What are the key properties of 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine?
6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine has a molecular weight of 251.29 g/mol, XLogP of 1.51, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-methyl-2-(4-methylpiperidin-1-yl)-5-nitropyrimidin-4-amine is sourced from PubChem (CID 2940089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).