(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol

C17H30N4O2 — CID 70711702

IUPAC(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCOCC[C@]1(O)CCN(c2nc(N(C)C)nc(C)c2C)C[C@H]1C
InChIInChI=1S/C17H30N4O2/c1-12-11-21(9-7-17(12,22)8-10-23-6)15-13(2)14(3)18-16(19-15)20(4)5/h12,22H,7-11H2,1-6H3/t12-,17-/m1/s1
InChIKeyKGNDWLOMQNGOHY-SJKOYZFVSA-N
MW322.45 g/mol
LogP1.77
Rot. Bonds5

About (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol

(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (PubChem CID 70711702) has the molecular formula C17H30N4O2 and a molecular weight of 322.45 g/mol. Its IUPAC name is (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.

Molecular Properties

Compound Name(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
PubChem CID70711702
Molecular FormulaC17H30N4O2
Molecular Weight322.45 g/mol
Exact Mass322.24
IUPAC Name(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol
SMILESCOCC[C@]1(O)CCN(c2nc(N(C)C)nc(C)c2C)C[C@H]1C
InChIInChI=1S/C17H30N4O2/c1-12-11-21(9-7-17(12,22)8-10-23-6)15-13(2)14(3)18-16(19-15)20(4)5/h12,22H,7-11H2,1-6H3/t12-,17-/m1/s1
InChIKeyKGNDWLOMQNGOHY-SJKOYZFVSA-N
XLogP1.77
TPSA61.72 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500322.45
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The IUPAC name of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol (CID 70711702) is (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol.
What is the SMILES notation for (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The canonical SMILES for (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is COCC[C@]1(O)CCN(c2nc(N(C)C)nc(C)c2C)C[C@H]1C.
What is the InChIKey of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
The InChIKey is KGNDWLOMQNGOHY-SJKOYZFVSA-N. The full InChI is InChI=1S/C17H30N4O2/c1-12-11-21(9-7-17(12,22)8-10-23-6)15-13(2)14(3)18-16(19-15)20(4)5/h12,22H,7-11H2,1-6H3/t12-,17-/m1/s1.
What are the key properties of (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol?
(3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol has a molecular weight of 322.45 g/mol, XLogP of 1.77, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-1-[2-(dimethylamino)-5,6-dimethylpyrimidin-4-yl]-4-(2-methoxyethyl)-3-methylpiperidin-4-ol is sourced from PubChem (CID 70711702), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).