2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone

C16H25N5O2 — CID 53189335

IUPAC2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCNc1nccc(N2CCC(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-17-16-18-5-2-14(19-16)20-6-3-13(4-7-20)12-15(22)21-8-10-23-11-9-21/h2,5,13H,3-4,6-12H2,1H3,(H,17,18,19)
InChIKeyQVVNSEUEUWYRMT-UHFFFAOYSA-N
MW319.41 g/mol
LogP0.98
Rot. Bonds4

About 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone

2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone (PubChem CID 53189335) has the molecular formula C16H25N5O2 and a molecular weight of 319.41 g/mol. Its IUPAC name is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone.

Molecular Properties

Compound Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone
PubChem CID53189335
Molecular FormulaC16H25N5O2
Molecular Weight319.41 g/mol
Exact Mass319.20
IUPAC Name2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone
SMILESCNc1nccc(N2CCC(CC(=O)N3CCOCC3)CC2)n1
InChIInChI=1S/C16H25N5O2/c1-17-16-18-5-2-14(19-16)20-6-3-13(4-7-20)12-15(22)21-8-10-23-11-9-21/h2,5,13H,3-4,6-12H2,1H3,(H,17,18,19)
InChIKeyQVVNSEUEUWYRMT-UHFFFAOYSA-N
XLogP0.98
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500319.41
LogP ≤ 50.98
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The IUPAC name of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone (CID 53189335) is 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone.
What is the SMILES notation for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The canonical SMILES for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone is CNc1nccc(N2CCC(CC(=O)N3CCOCC3)CC2)n1.
What is the InChIKey of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone?
The InChIKey is QVVNSEUEUWYRMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N5O2/c1-17-16-18-5-2-14(19-16)20-6-3-13(4-7-20)12-15(22)21-8-10-23-11-9-21/h2,5,13H,3-4,6-12H2,1H3,(H,17,18,19).
What are the key properties of 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone?
2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone has a molecular weight of 319.41 g/mol, XLogP of 0.98, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[1-[2-(methylamino)pyrimidin-4-yl]piperidin-4-yl]-1-morpholin-4-ylethanone is sourced from PubChem (CID 53189335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).