[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

C17H24N4OS — CID 163357867

IUPAC[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2cc(C3CC3)ncn2)CC1)N1CCSCC1
InChIInChI=1S/C17H24N4OS/c22-17(21-7-9-23-10-8-21)14-3-5-20(6-4-14)16-11-15(13-1-2-13)18-12-19-16/h11-14H,1-10H2
InChIKeyTUYYLHZERVWHME-UHFFFAOYSA-N
MW332.47 g/mol
LogP2.15
Rot. Bonds3

About [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone

[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (PubChem CID 163357867) has the molecular formula C17H24N4OS and a molecular weight of 332.47 g/mol. Its IUPAC name is [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.

Molecular Properties

Compound Name[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
PubChem CID163357867
Molecular FormulaC17H24N4OS
Molecular Weight332.47 g/mol
Exact Mass332.17
IUPAC Name[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone
SMILESO=C(C1CCN(c2cc(C3CC3)ncn2)CC1)N1CCSCC1
InChIInChI=1S/C17H24N4OS/c22-17(21-7-9-23-10-8-21)14-3-5-20(6-4-14)16-11-15(13-1-2-13)18-12-19-16/h11-14H,1-10H2
InChIKeyTUYYLHZERVWHME-UHFFFAOYSA-N
XLogP2.15
TPSA49.33 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.47
LogP ≤ 52.15
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The IUPAC name of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone (CID 163357867) is [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone.
What is the SMILES notation for [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The canonical SMILES for [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is O=C(C1CCN(c2cc(C3CC3)ncn2)CC1)N1CCSCC1.
What is the InChIKey of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
The InChIKey is TUYYLHZERVWHME-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H24N4OS/c22-17(21-7-9-23-10-8-21)14-3-5-20(6-4-14)16-11-15(13-1-2-13)18-12-19-16/h11-14H,1-10H2.
What are the key properties of [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone?
[1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone has a molecular weight of 332.47 g/mol, XLogP of 2.15, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [1-(6-cyclopropylpyrimidin-4-yl)piperidin-4-yl]-thiomorpholin-4-ylmethanone is sourced from PubChem (CID 163357867), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).