N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine

C16H28N4 — CID 62746380

IUPACN-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
SMILESCc1nc(N2CCCCC2)nc(C)c1CNC(C)(C)C
InChIInChI=1S/C16H28N4/c1-12-14(11-17-16(3,4)5)13(2)19-15(18-12)20-9-7-6-8-10-20/h17H,6-11H2,1-5H3
InChIKeyAJOYRNFNESYCTQ-UHFFFAOYSA-N
MW276.43 g/mol
LogP2.97
Rot. Bonds3

About N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine

N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine (PubChem CID 62746380) has the molecular formula C16H28N4 and a molecular weight of 276.43 g/mol. Its IUPAC name is N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine.

Molecular Properties

Compound NameN-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
PubChem CID62746380
Molecular FormulaC16H28N4
Molecular Weight276.43 g/mol
Exact Mass276.23
IUPAC NameN-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine
SMILESCc1nc(N2CCCCC2)nc(C)c1CNC(C)(C)C
InChIInChI=1S/C16H28N4/c1-12-14(11-17-16(3,4)5)13(2)19-15(18-12)20-9-7-6-8-10-20/h17H,6-11H2,1-5H3
InChIKeyAJOYRNFNESYCTQ-UHFFFAOYSA-N
XLogP2.97
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.43
LogP ≤ 52.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The IUPAC name of N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine (CID 62746380) is N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine.
What is the SMILES notation for N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The canonical SMILES for N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine is Cc1nc(N2CCCCC2)nc(C)c1CNC(C)(C)C.
What is the InChIKey of N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
The InChIKey is AJOYRNFNESYCTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H28N4/c1-12-14(11-17-16(3,4)5)13(2)19-15(18-12)20-9-7-6-8-10-20/h17H,6-11H2,1-5H3.
What are the key properties of N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine?
N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine has a molecular weight of 276.43 g/mol, XLogP of 2.97, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(4,6-dimethyl-2-piperidin-1-ylpyrimidin-5-yl)methyl]-2-methylpropan-2-amine is sourced from PubChem (CID 62746380), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).