(2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

C18H28N4O3 — CID 72858009

IUPAC(2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)nc(C)n1
InChIInChI=1S/C18H28N4O3/c1-13-7-17(20-14(2)19-13)18(24)22-10-15(8-16(11-22)12-23)9-21-3-5-25-6-4-21/h7,15-16,23H,3-6,8-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyZHEKUVIYLMJSFQ-HZPDHXFCSA-N
MW348.45 g/mol
LogP0.50
Rot. Bonds4

About (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone

(2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (PubChem CID 72858009) has the molecular formula C18H28N4O3 and a molecular weight of 348.45 g/mol. Its IUPAC name is (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.

Molecular Properties

Compound Name(2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
PubChem CID72858009
Molecular FormulaC18H28N4O3
Molecular Weight348.45 g/mol
Exact Mass348.22
IUPAC Name(2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone
SMILESCc1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)nc(C)n1
InChIInChI=1S/C18H28N4O3/c1-13-7-17(20-14(2)19-13)18(24)22-10-15(8-16(11-22)12-23)9-21-3-5-25-6-4-21/h7,15-16,23H,3-6,8-12H2,1-2H3/t15-,16-/m1/s1
InChIKeyZHEKUVIYLMJSFQ-HZPDHXFCSA-N
XLogP0.50
TPSA78.79 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500348.45
LogP ≤ 50.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The IUPAC name of (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone (CID 72858009) is (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone.
What is the SMILES notation for (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The canonical SMILES for (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is Cc1cc(C(=O)N2C[C@H](CO)C[C@H](CN3CCOCC3)C2)nc(C)n1.
What is the InChIKey of (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
The InChIKey is ZHEKUVIYLMJSFQ-HZPDHXFCSA-N. The full InChI is InChI=1S/C18H28N4O3/c1-13-7-17(20-14(2)19-13)18(24)22-10-15(8-16(11-22)12-23)9-21-3-5-25-6-4-21/h7,15-16,23H,3-6,8-12H2,1-2H3/t15-,16-/m1/s1.
What are the key properties of (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone?
(2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone has a molecular weight of 348.45 g/mol, XLogP of 0.50, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (2,6-dimethylpyrimidin-4-yl)-[(3R,5R)-3-(hydroxymethyl)-5-(morpholin-4-ylmethyl)piperidin-1-yl]methanone is sourced from PubChem (CID 72858009), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).