2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine

C24H29N5O2 — CID 57442061

IUPAC2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cccc(-c2ccc3c(N4CCOCC4)nc(N4CC(C)OC(C)C4)nc3n2)c1
InChIInChI=1S/C24H29N5O2/c1-16-5-4-6-19(13-16)21-8-7-20-22(25-21)26-24(29-14-17(2)31-18(3)15-29)27-23(20)28-9-11-30-12-10-28/h4-8,13,17-18H,9-12,14-15H2,1-3H3
InChIKeyZRNURTIGYUTNTF-UHFFFAOYSA-N
MW419.53 g/mol
LogP3.45
Rot. Bonds3

About 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine

2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine (PubChem CID 57442061) has the molecular formula C24H29N5O2 and a molecular weight of 419.53 g/mol. Its IUPAC name is 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
PubChem CID57442061
Molecular FormulaC24H29N5O2
Molecular Weight419.53 g/mol
Exact Mass419.23
IUPAC Name2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine
SMILESCc1cccc(-c2ccc3c(N4CCOCC4)nc(N4CC(C)OC(C)C4)nc3n2)c1
InChIInChI=1S/C24H29N5O2/c1-16-5-4-6-19(13-16)21-8-7-20-22(25-21)26-24(29-14-17(2)31-18(3)15-29)27-23(20)28-9-11-30-12-10-28/h4-8,13,17-18H,9-12,14-15H2,1-3H3
InChIKeyZRNURTIGYUTNTF-UHFFFAOYSA-N
XLogP3.45
TPSA63.61 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds3
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.53
LogP ≤ 53.45
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine (CID 57442061) is 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine is Cc1cccc(-c2ccc3c(N4CCOCC4)nc(N4CC(C)OC(C)C4)nc3n2)c1.
What is the InChIKey of 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is ZRNURTIGYUTNTF-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H29N5O2/c1-16-5-4-6-19(13-16)21-8-7-20-22(25-21)26-24(29-14-17(2)31-18(3)15-29)27-23(20)28-9-11-30-12-10-28/h4-8,13,17-18H,9-12,14-15H2,1-3H3.
What are the key properties of 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine?
2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 419.53 g/mol, XLogP of 3.45, 3 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2,6-dimethyl-4-[7-(3-methylphenyl)-4-morpholin-4-ylpyrido[2,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 57442061), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).