[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine

C14H24N4O — CID 112622870

IUPAC[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCOC1CCN(c2cc(C(C)C)ncn2)C(CN)C1
InChIInChI=1S/C14H24N4O/c1-10(2)13-7-14(17-9-16-13)18-5-4-12(19-3)6-11(18)8-15/h7,9-12H,4-6,8,15H2,1-3H3
InChIKeyLIEFZIRFOWVNLR-UHFFFAOYSA-N
MW264.37 g/mol
LogP1.54
Rot. Bonds4

About [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine

[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine (PubChem CID 112622870) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine.

Molecular Properties

Compound Name[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
PubChem CID112622870
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
SMILESCOC1CCN(c2cc(C(C)C)ncn2)C(CN)C1
InChIInChI=1S/C14H24N4O/c1-10(2)13-7-14(17-9-16-13)18-5-4-12(19-3)6-11(18)8-15/h7,9-12H,4-6,8,15H2,1-3H3
InChIKeyLIEFZIRFOWVNLR-UHFFFAOYSA-N
XLogP1.54
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

[4-methoxy-1-(6-methoxypyrimidin-4-yl)piperidin-2-yl]methanamine
CID 112622803
[4-ethyl-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine
CID 103353715
[4-methoxy-1-(5-methoxy-2-pyridinyl)piperidin-2-yl]methanamine
CID 106504519
(4-methoxy-1-pyridin-2-ylpiperidin-2-yl)methanamine
CID 112622846
[1-(6-chloropyridazin-3-yl)-4-methoxypiperidin-2-yl]methanamine
CID 112622877
[4-methoxy-1-(5,6,7,8-tetrahydroquinazolin-4-yl)piperidin-2-yl]methanamine
CID 115963930
(4-methoxy-1-quinazolin-4-ylpiperidin-2-yl)methanamine
CID 115963850
[1-(5-chloropyrimidin-4-yl)-4-methoxypiperidin-2-yl]methanamine
CID 105370102
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]pyridine-2-carboxamide
CID 112622854
[1-(5-bromo-3-methyl-2-pyridinyl)-4-methoxypiperidin-2-yl]methanamine
CID 112622897
[4-methoxy-1-(5-methyl-[1,2,4]triazolo[1,5-a]pyrimidin-7-yl)piperidin-2-yl]methanamine
CID 115963984
6-[2-(aminomethyl)-4-methoxypiperidin-1-yl]-N,N-dimethylpyridine-3-carboxamide
CID 115963854

Frequently Asked Questions

What is the IUPAC name of [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine?
The IUPAC name of [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine (CID 112622870) is [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine.
What is the SMILES notation for [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine?
The canonical SMILES for [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine is COC1CCN(c2cc(C(C)C)ncn2)C(CN)C1.
What is the InChIKey of [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine?
The InChIKey is LIEFZIRFOWVNLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O/c1-10(2)13-7-14(17-9-16-13)18-5-4-12(19-3)6-11(18)8-15/h7,9-12H,4-6,8,15H2,1-3H3.
What are the key properties of [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine?
[4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine has a molecular weight of 264.37 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [4-methoxy-1-(6-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]methanamine is sourced from PubChem (CID 112622870), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).