3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one

C25H29N5O2 — CID 59794151

IUPAC3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
SMILESCn1c(N2CCOC(c3cccc(CN4CCCC4)c3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H29N5O2/c1-28-24(31)16-22(20-7-9-26-10-8-20)27-25(28)30-13-14-32-23(18-30)21-6-4-5-19(15-21)17-29-11-2-3-12-29/h4-10,15-16,23H,2-3,11-14,17-18H2,1H3
InChIKeyPUCIEOFZMWAUOF-UHFFFAOYSA-N
MW431.54 g/mol
LogP3.02
Rot. Bonds5

About 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one

3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one (PubChem CID 59794151) has the molecular formula C25H29N5O2 and a molecular weight of 431.54 g/mol. Its IUPAC name is 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one.

Molecular Properties

Compound Name3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
PubChem CID59794151
Molecular FormulaC25H29N5O2
Molecular Weight431.54 g/mol
Exact Mass431.23
IUPAC Name3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one
SMILESCn1c(N2CCOC(c3cccc(CN4CCCC4)c3)C2)nc(-c2ccncc2)cc1=O
InChIInChI=1S/C25H29N5O2/c1-28-24(31)16-22(20-7-9-26-10-8-20)27-25(28)30-13-14-32-23(18-30)21-6-4-5-19(15-21)17-29-11-2-3-12-29/h4-10,15-16,23H,2-3,11-14,17-18H2,1H3
InChIKeyPUCIEOFZMWAUOF-UHFFFAOYSA-N
XLogP3.02
TPSA63.49 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500431.54
LogP ≤ 53.02
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
The IUPAC name of 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one (CID 59794151) is 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one.
What is the SMILES notation for 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
The canonical SMILES for 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one is Cn1c(N2CCOC(c3cccc(CN4CCCC4)c3)C2)nc(-c2ccncc2)cc1=O.
What is the InChIKey of 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
The InChIKey is PUCIEOFZMWAUOF-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H29N5O2/c1-28-24(31)16-22(20-7-9-26-10-8-20)27-25(28)30-13-14-32-23(18-30)21-6-4-5-19(15-21)17-29-11-2-3-12-29/h4-10,15-16,23H,2-3,11-14,17-18H2,1H3.
What are the key properties of 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one?
3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one has a molecular weight of 431.54 g/mol, XLogP of 3.02, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-6-pyridin-4-yl-2-[2-[3-(pyrrolidin-1-ylmethyl)phenyl]morpholin-4-yl]pyrimidin-4-one is sourced from PubChem (CID 59794151), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).