4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine

C19H31N5O — CID 56882461

IUPAC4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(C2CCN(CC3CCNC3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O/c1-15-21-18(12-19(22-15)24-8-10-25-11-9-24)17-3-6-23(7-4-17)14-16-2-5-20-13-16/h12,16-17,20H,2-11,13-14H2,1H3
InChIKeyXIVJJKUUPHSUJM-UHFFFAOYSA-N
MW345.49 g/mol
LogP1.41
Rot. Bonds4

About 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine

4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine (PubChem CID 56882461) has the molecular formula C19H31N5O and a molecular weight of 345.49 g/mol. Its IUPAC name is 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine.

Molecular Properties

Compound Name4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
PubChem CID56882461
Molecular FormulaC19H31N5O
Molecular Weight345.49 g/mol
Exact Mass345.25
IUPAC Name4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine
SMILESCc1nc(C2CCN(CC3CCNC3)CC2)cc(N2CCOCC2)n1
InChIInChI=1S/C19H31N5O/c1-15-21-18(12-19(22-15)24-8-10-25-11-9-24)17-3-6-23(7-4-17)14-16-2-5-20-13-16/h12,16-17,20H,2-11,13-14H2,1H3
InChIKeyXIVJJKUUPHSUJM-UHFFFAOYSA-N
XLogP1.41
TPSA53.52 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500345.49
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The IUPAC name of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine (CID 56882461) is 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine.
What is the SMILES notation for 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The canonical SMILES for 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine is Cc1nc(C2CCN(CC3CCNC3)CC2)cc(N2CCOCC2)n1.
What is the InChIKey of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
The InChIKey is XIVJJKUUPHSUJM-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H31N5O/c1-15-21-18(12-19(22-15)24-8-10-25-11-9-24)17-3-6-23(7-4-17)14-16-2-5-20-13-16/h12,16-17,20H,2-11,13-14H2,1H3.
What are the key properties of 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine?
4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine has a molecular weight of 345.49 g/mol, XLogP of 1.41, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-methyl-6-[1-(pyrrolidin-3-ylmethyl)piperidin-4-yl]pyrimidin-4-yl]morpholine is sourced from PubChem (CID 56882461), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).