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

C25H30ClN5O5 — CID 70472615

IUPAC[5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O5/c1-3-35-25(32)36-21-16(2)27-22-20(19(21)17-4-6-18(26)7-5-17)23(30-8-12-33-13-9-30)29-24(28-22)31-10-14-34-15-11-31/h4-7,19H,3,8-15H2,1-2H3,(H,27,28,29)
InChIKeyISYVXUSEQGBOAT-UHFFFAOYSA-N
MW516.00 g/mol
LogP3.77
Rot. Bonds5

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

[5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate (PubChem CID 70472615) has the molecular formula C25H30ClN5O5 and a molecular weight of 516.00 g/mol. Its IUPAC name is [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate.

Molecular Properties

Compound Name[5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate
PubChem CID70472615
Molecular FormulaC25H30ClN5O5
Molecular Weight516.00 g/mol
Exact Mass515.19
IUPAC Name[5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate
SMILESCCOC(=O)OC1=C(C)Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1c1ccc(Cl)cc1
InChIInChI=1S/C25H30ClN5O5/c1-3-35-25(32)36-21-16(2)27-22-20(19(21)17-4-6-18(26)7-5-17)23(30-8-12-33-13-9-30)29-24(28-22)31-10-14-34-15-11-31/h4-7,19H,3,8-15H2,1-2H3,(H,27,28,29)
InChIKeyISYVXUSEQGBOAT-UHFFFAOYSA-N
XLogP3.77
TPSA98.28 Ų
H-Bond Donors1
H-Bond Acceptors10
Rotatable Bonds5
Heavy Atoms36
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500516.00
LogP ≤ 53.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 1010

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Frequently Asked Questions

What is the IUPAC name of [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate?
The IUPAC name of [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate (CID 70472615) is [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate.
What is the SMILES notation for [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate?
The canonical SMILES for [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate is CCOC(=O)OC1=C(C)Nc2nc(N3CCOCC3)nc(N3CCOCC3)c2C1c1ccc(Cl)cc1.
What is the InChIKey of [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate?
The InChIKey is ISYVXUSEQGBOAT-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H30ClN5O5/c1-3-35-25(32)36-21-16(2)27-22-20(19(21)17-4-6-18(26)7-5-17)23(30-8-12-33-13-9-30)29-24(28-22)31-10-14-34-15-11-31/h4-7,19H,3,8-15H2,1-2H3,(H,27,28,29).
What are the key properties of [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate?
[5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate has a molecular weight of 516.00 g/mol, XLogP of 3.77, 5 rotatable bonds, 1 hydrogen bond donors, and 10 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(4-chlorophenyl)-7-methyl-2,4-dimorpholin-4-yl-5,8-dihydropyrido[2,3-d]pyrimidin-6-yl] ethyl carbonate is sourced from PubChem (CID 70472615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).