1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine

C18H30N4O — CID 71863166

IUPAC1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(N(C)CC3CCCCO3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-14-12-18(20-15(2)19-14)22-9-7-16(8-10-22)21(3)13-17-6-4-5-11-23-17/h12,16-17H,4-11,13H2,1-3H3
InChIKeyLBNACZNSTJWFLS-UHFFFAOYSA-N
MW318.47 g/mol
LogP2.56
Rot. Bonds4

About 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine

1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine (PubChem CID 71863166) has the molecular formula C18H30N4O and a molecular weight of 318.47 g/mol. Its IUPAC name is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine.

Molecular Properties

Compound Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
PubChem CID71863166
Molecular FormulaC18H30N4O
Molecular Weight318.47 g/mol
Exact Mass318.24
IUPAC Name1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine
SMILESCc1cc(N2CCC(N(C)CC3CCCCO3)CC2)nc(C)n1
InChIInChI=1S/C18H30N4O/c1-14-12-18(20-15(2)19-14)22-9-7-16(8-10-22)21(3)13-17-6-4-5-11-23-17/h12,16-17H,4-11,13H2,1-3H3
InChIKeyLBNACZNSTJWFLS-UHFFFAOYSA-N
XLogP2.56
TPSA41.49 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.47
LogP ≤ 52.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
The IUPAC name of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine (CID 71863166) is 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine.
What is the SMILES notation for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
The canonical SMILES for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine is Cc1cc(N2CCC(N(C)CC3CCCCO3)CC2)nc(C)n1.
What is the InChIKey of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
The InChIKey is LBNACZNSTJWFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H30N4O/c1-14-12-18(20-15(2)19-14)22-9-7-16(8-10-22)21(3)13-17-6-4-5-11-23-17/h12,16-17H,4-11,13H2,1-3H3.
What are the key properties of 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine?
1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine has a molecular weight of 318.47 g/mol, XLogP of 2.56, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,6-dimethylpyrimidin-4-yl)-N-methyl-N-(oxan-2-ylmethyl)piperidin-4-amine is sourced from PubChem (CID 71863166), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).