4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one

C19H23N5O2 — CID 163200977

IUPAC4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one
SMILESO=C1CC(c2ccnc(Nc3ccccc3)n2)CC(N2CCOCC2)N1
InChIInChI=1S/C19H23N5O2/c25-18-13-14(12-17(23-18)24-8-10-26-11-9-24)16-6-7-20-19(22-16)21-15-4-2-1-3-5-15/h1-7,14,17H,8-13H2,(H,23,25)(H,20,21,22)
InChIKeyVLLRUYJQUMKOAI-UHFFFAOYSA-N
MW353.43 g/mol
LogP1.87
Rot. Bonds4

About 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one

4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one (PubChem CID 163200977) has the molecular formula C19H23N5O2 and a molecular weight of 353.43 g/mol. Its IUPAC name is 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one.

Molecular Properties

Compound Name4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one
PubChem CID163200977
Molecular FormulaC19H23N5O2
Molecular Weight353.43 g/mol
Exact Mass353.19
IUPAC Name4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one
SMILESO=C1CC(c2ccnc(Nc3ccccc3)n2)CC(N2CCOCC2)N1
InChIInChI=1S/C19H23N5O2/c25-18-13-14(12-17(23-18)24-8-10-26-11-9-24)16-6-7-20-19(22-16)21-15-4-2-1-3-5-15/h1-7,14,17H,8-13H2,(H,23,25)(H,20,21,22)
InChIKeyVLLRUYJQUMKOAI-UHFFFAOYSA-N
XLogP1.87
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500353.43
LogP ≤ 51.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one?
The IUPAC name of 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one (CID 163200977) is 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one.
What is the SMILES notation for 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one?
The canonical SMILES for 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one is O=C1CC(c2ccnc(Nc3ccccc3)n2)CC(N2CCOCC2)N1.
What is the InChIKey of 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one?
The InChIKey is VLLRUYJQUMKOAI-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O2/c25-18-13-14(12-17(23-18)24-8-10-26-11-9-24)16-6-7-20-19(22-16)21-15-4-2-1-3-5-15/h1-7,14,17H,8-13H2,(H,23,25)(H,20,21,22).
What are the key properties of 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one?
4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one has a molecular weight of 353.43 g/mol, XLogP of 1.87, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-anilinopyrimidin-4-yl)-6-morpholin-4-ylpiperidin-2-one is sourced from PubChem (CID 163200977), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).