2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine

C10H16N4O — CID 90176595

IUPAC2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1CCN(c2nccc(N)n2)CC1
InChIInChI=1S/C10H16N4O/c1-15-8-3-6-14(7-4-8)10-12-5-2-9(11)13-10/h2,5,8H,3-4,6-7H2,1H3,(H2,11,12,13)
InChIKeyNYQXBWARBXKSCN-UHFFFAOYSA-N
MW208.26 g/mol
LogP0.67
Rot. Bonds2

About 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine

2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine (PubChem CID 90176595) has the molecular formula C10H16N4O and a molecular weight of 208.26 g/mol. Its IUPAC name is 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine
PubChem CID90176595
Molecular FormulaC10H16N4O
Molecular Weight208.26 g/mol
Exact Mass208.13
IUPAC Name2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine
SMILESCOC1CCN(c2nccc(N)n2)CC1
InChIInChI=1S/C10H16N4O/c1-15-8-3-6-14(7-4-8)10-12-5-2-9(11)13-10/h2,5,8H,3-4,6-7H2,1H3,(H2,11,12,13)
InChIKeyNYQXBWARBXKSCN-UHFFFAOYSA-N
XLogP0.67
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500208.26
LogP ≤ 50.67
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine (CID 90176595) is 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine is COC1CCN(c2nccc(N)n2)CC1.
What is the InChIKey of 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is NYQXBWARBXKSCN-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O/c1-15-8-3-6-14(7-4-8)10-12-5-2-9(11)13-10/h2,5,8H,3-4,6-7H2,1H3,(H2,11,12,13).
What are the key properties of 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine?
2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 208.26 g/mol, XLogP of 0.67, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(4-methoxypiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 90176595), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).