ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate

C25H31N5O5 — CID 70354320

IUPACethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate
SMILESCCOC(=O)OC1=C(C)Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1c1ccccc1
InChIInChI=1S/C25H31N5O5/c1-3-34-25(31)35-21-17(2)26-22-20(19(21)18-7-5-4-6-8-18)23(29-9-13-32-14-10-29)28-24(27-22)30-11-15-33-16-12-30/h4-8,19H,3,9-16H2,1-2H3,(H,26,27,28)
InChIKeyKOEPYGCYBIVZKN-UHFFFAOYSA-N
MW481.55 g/mol
LogP3.11
Rot. Bonds5

About ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate

ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate (PubChem CID 70354320) has the molecular formula C25H31N5O5 and a molecular weight of 481.55 g/mol. Its IUPAC name is ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate.

Molecular Properties

Compound Nameethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate
PubChem CID70354320
Molecular FormulaC25H31N5O5
Molecular Weight481.55 g/mol
Exact Mass481.23
IUPAC Nameethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate
SMILESCCOC(=O)OC1=C(C)Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1c1ccccc1
InChIInChI=1S/C25H31N5O5/c1-3-34-25(31)35-21-17(2)26-22-20(19(21)18-7-5-4-6-8-18)23(29-9-13-32-14-10-29)28-24(27-22)30-11-15-33-16-12-30/h4-8,19H,3,9-16H2,1-2H3,(H,26,27,28)
InChIKeyKOEPYGCYBIVZKN-UHFFFAOYSA-N
XLogP3.11
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500481.55
LogP ≤ 53.11
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate?
The IUPAC name of ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate (CID 70354320) is ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate.
What is the SMILES notation for ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate?
The canonical SMILES for ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate is CCOC(=O)OC1=C(C)Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1c1ccccc1.
What is the InChIKey of ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate?
The InChIKey is KOEPYGCYBIVZKN-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H31N5O5/c1-3-34-25(31)35-21-17(2)26-22-20(19(21)18-7-5-4-6-8-18)23(29-9-13-32-14-10-29)28-24(27-22)30-11-15-33-16-12-30/h4-8,19H,3,9-16H2,1-2H3,(H,26,27,28).
What are the key properties of ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate?
ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate has a molecular weight of 481.55 g/mol, XLogP of 3.11, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl (7-methyl-2,4-dimorpholin-4-yl-5-phenyl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl) carbonate is sourced from PubChem (CID 70354320), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).