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

C24H28N6O — CID 155557481

IUPAC4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCc1cnccc1-c1nc(-c2cccnc2)cc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-18-16-26-8-4-21(18)24-27-22(19-3-2-7-25-17-19)15-23(28-24)30-9-5-20(6-10-30)29-11-13-31-14-12-29/h2-4,7-8,15-17,20H,5-6,9-14H2,1H3
InChIKeyMKCRBEVMBMYJNT-UHFFFAOYSA-N
MW416.53 g/mol
LogP3.21
Rot. Bonds4

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

4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (PubChem CID 155557481) has the molecular formula C24H28N6O and a molecular weight of 416.53 g/mol. Its IUPAC name is 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
PubChem CID155557481
Molecular FormulaC24H28N6O
Molecular Weight416.53 g/mol
Exact Mass416.23
IUPAC Name4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine
SMILESCc1cnccc1-c1nc(-c2cccnc2)cc(N2CCC(N3CCOCC3)CC2)n1
InChIInChI=1S/C24H28N6O/c1-18-16-26-8-4-21(18)24-27-22(19-3-2-7-25-17-19)15-23(28-24)30-9-5-20(6-10-30)29-11-13-31-14-12-29/h2-4,7-8,15-17,20H,5-6,9-14H2,1H3
InChIKeyMKCRBEVMBMYJNT-UHFFFAOYSA-N
XLogP3.21
TPSA67.27 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500416.53
LogP ≤ 53.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The IUPAC name of 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine (CID 155557481) is 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine.
What is the SMILES notation for 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The canonical SMILES for 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is Cc1cnccc1-c1nc(-c2cccnc2)cc(N2CCC(N3CCOCC3)CC2)n1.
What is the InChIKey of 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
The InChIKey is MKCRBEVMBMYJNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H28N6O/c1-18-16-26-8-4-21(18)24-27-22(19-3-2-7-25-17-19)15-23(28-24)30-9-5-20(6-10-30)29-11-13-31-14-12-29/h2-4,7-8,15-17,20H,5-6,9-14H2,1H3.
What are the key properties of 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine?
4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine has a molecular weight of 416.53 g/mol, XLogP of 3.21, 4 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[1-[2-(3-methyl-4-pyridinyl)-6-pyridin-3-ylpyrimidin-4-yl]piperidin-4-yl]morpholine is sourced from PubChem (CID 155557481), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).