4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

C25H30N6O — CID 155562854

IUPAC4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCc1cc(-c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)cc(C)n1
InChIInChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3
InChIKeyOROGDQDTZRXQRG-UHFFFAOYSA-N
MW430.56 g/mol
LogP3.52
Rot. Bonds4

About 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine

4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (PubChem CID 155562854) has the molecular formula C25H30N6O and a molecular weight of 430.56 g/mol. Its IUPAC name is 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
PubChem CID155562854
Molecular FormulaC25H30N6O
Molecular Weight430.56 g/mol
Exact Mass430.25
IUPAC Name4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCc1cc(-c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)cc(C)n1
InChIInChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3
InChIKeyOROGDQDTZRXQRG-UHFFFAOYSA-N
XLogP3.52
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500430.56
LogP ≤ 53.52
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (CID 155562854) is 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is Cc1cc(-c2nc(-c3cccnc3)cc(N3CCC(N4CCOCC4)CC3)n2)cc(C)n1.
What is the InChIKey of 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is OROGDQDTZRXQRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30N6O/c1-18-14-21(15-19(2)27-18)25-28-23(20-4-3-7-26-17-20)16-24(29-25)31-8-5-22(6-9-31)30-10-12-32-13-11-30/h3-4,7,14-17,22H,5-6,8-13H2,1-2H3.
What are the key properties of 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 430.56 g/mol, XLogP of 3.52, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(2,6-dimethyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 155562854), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).