4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C25H27FN4O2 — CID 46072197

IUPAC4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C25H27FN4O2/c1-18-4-2-3-5-23(18)32-24-21-17-29(16-19-6-8-20(26)9-7-19)11-10-22(21)27-25(28-24)30-12-14-31-15-13-30/h2-9H,10-17H2,1H3
InChIKeyODGJSNRKBORLIV-UHFFFAOYSA-N
MW434.52 g/mol
LogP4.11
Rot. Bonds5

About 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46072197) has the molecular formula C25H27FN4O2 and a molecular weight of 434.52 g/mol. Its IUPAC name is 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID46072197
Molecular FormulaC25H27FN4O2
Molecular Weight434.52 g/mol
Exact Mass434.21
IUPAC Name4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESCc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1ccc(F)cc1)CC2
InChIInChI=1S/C25H27FN4O2/c1-18-4-2-3-5-23(18)32-24-21-17-29(16-19-6-8-20(26)9-7-19)11-10-22(21)27-25(28-24)30-12-14-31-15-13-30/h2-9H,10-17H2,1H3
InChIKeyODGJSNRKBORLIV-UHFFFAOYSA-N
XLogP4.11
TPSA50.72 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.52
LogP ≤ 54.11
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46072197) is 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Cc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1ccc(F)cc1)CC2.
What is the InChIKey of 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is ODGJSNRKBORLIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H27FN4O2/c1-18-4-2-3-5-23(18)32-24-21-17-29(16-19-6-8-20(26)9-7-19)11-10-22(21)27-25(28-24)30-12-14-31-15-13-30/h2-9H,10-17H2,1H3.
What are the key properties of 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 434.52 g/mol, XLogP of 4.11, 5 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46072197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).