(3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine

C14H24N4O — CID 56878500

IUPAC(3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine
SMILESCO[C@H]1CN(c2cc(C(C)C)nc(C)n2)CC[C@H]1N
InChIInChI=1S/C14H24N4O/c1-9(2)12-7-14(17-10(3)16-12)18-6-5-11(15)13(8-18)19-4/h7,9,11,13H,5-6,8,15H2,1-4H3/t11-,13+/m1/s1
InChIKeyIPFGATDERCWMOH-YPMHNXCESA-N
MW264.37 g/mol
LogP1.46
Rot. Bonds3

About (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine

(3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine (PubChem CID 56878500) has the molecular formula C14H24N4O and a molecular weight of 264.37 g/mol. Its IUPAC name is (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine.

Molecular Properties

Compound Name(3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine
PubChem CID56878500
Molecular FormulaC14H24N4O
Molecular Weight264.37 g/mol
Exact Mass264.20
IUPAC Name(3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine
SMILESCO[C@H]1CN(c2cc(C(C)C)nc(C)n2)CC[C@H]1N
InChIInChI=1S/C14H24N4O/c1-9(2)12-7-14(17-10(3)16-12)18-6-5-11(15)13(8-18)19-4/h7,9,11,13H,5-6,8,15H2,1-4H3/t11-,13+/m1/s1
InChIKeyIPFGATDERCWMOH-YPMHNXCESA-N
XLogP1.46
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.37
LogP ≤ 51.46
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine?
The IUPAC name of (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine (CID 56878500) is (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine.
What is the SMILES notation for (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine?
The canonical SMILES for (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine is CO[C@H]1CN(c2cc(C(C)C)nc(C)n2)CC[C@H]1N.
What is the InChIKey of (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine?
The InChIKey is IPFGATDERCWMOH-YPMHNXCESA-N. The full InChI is InChI=1S/C14H24N4O/c1-9(2)12-7-14(17-10(3)16-12)18-6-5-11(15)13(8-18)19-4/h7,9,11,13H,5-6,8,15H2,1-4H3/t11-,13+/m1/s1.
What are the key properties of (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine?
(3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine has a molecular weight of 264.37 g/mol, XLogP of 1.46, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (3S,4R)-3-methoxy-1-(2-methyl-6-propan-2-ylpyrimidin-4-yl)piperidin-4-amine is sourced from PubChem (CID 56878500), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).