4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine

C25H32N4O2 — CID 46960599

IUPAC4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
SMILESCc1nc(C2CCN(CC3=Cc4ccccc4OC3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C25H32N4O2/c1-18-19(2)26-24(27-25(18)29-11-13-30-14-12-29)21-7-9-28(10-8-21)16-20-15-22-5-3-4-6-23(22)31-17-20/h3-6,15,21H,7-14,16-17H2,1-2H3
InChIKeyDTQYXSHGGIKXGX-UHFFFAOYSA-N
MW420.56 g/mol
LogP3.59
Rot. Bonds4

About 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine

4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine (PubChem CID 46960599) has the molecular formula C25H32N4O2 and a molecular weight of 420.56 g/mol. Its IUPAC name is 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
PubChem CID46960599
Molecular FormulaC25H32N4O2
Molecular Weight420.56 g/mol
Exact Mass420.25
IUPAC Name4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine
SMILESCc1nc(C2CCN(CC3=Cc4ccccc4OC3)CC2)nc(N2CCOCC2)c1C
InChIInChI=1S/C25H32N4O2/c1-18-19(2)26-24(27-25(18)29-11-13-30-14-12-29)21-7-9-28(10-8-21)16-20-15-22-5-3-4-6-23(22)31-17-20/h3-6,15,21H,7-14,16-17H2,1-2H3
InChIKeyDTQYXSHGGIKXGX-UHFFFAOYSA-N
XLogP3.59
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500420.56
LogP ≤ 53.59
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine (CID 46960599) is 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine is Cc1nc(C2CCN(CC3=Cc4ccccc4OC3)CC2)nc(N2CCOCC2)c1C.
What is the InChIKey of 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
The InChIKey is DTQYXSHGGIKXGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H32N4O2/c1-18-19(2)26-24(27-25(18)29-11-13-30-14-12-29)21-7-9-28(10-8-21)16-20-15-22-5-3-4-6-23(22)31-17-20/h3-6,15,21H,7-14,16-17H2,1-2H3.
What are the key properties of 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine?
4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine has a molecular weight of 420.56 g/mol, XLogP of 3.59, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[1-(2H-chromen-3-ylmethyl)piperidin-4-yl]-5,6-dimethylpyrimidin-4-yl]morpholine is sourced from PubChem (CID 46960599), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).