4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

C25H25FN4O4 — CID 46072518

IUPAC4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C25H25FN4O4/c26-19-3-1-2-4-21(19)34-24-18-15-29(14-17-5-6-22-23(13-17)33-16-32-22)8-7-20(18)27-25(28-24)30-9-11-31-12-10-30/h1-6,13H,7-12,14-16H2
InChIKeyHTPBBYOBZKTASX-UHFFFAOYSA-N
MW464.50 g/mol
LogP3.53
Rot. Bonds5

About 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine

4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 46072518) has the molecular formula C25H25FN4O4 and a molecular weight of 464.50 g/mol. Its IUPAC name is 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID46072518
Molecular FormulaC25H25FN4O4
Molecular Weight464.50 g/mol
Exact Mass464.19
IUPAC Name4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESFc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1ccc3c(c1)OCO3)CC2
InChIInChI=1S/C25H25FN4O4/c26-19-3-1-2-4-21(19)34-24-18-15-29(14-17-5-6-22-23(13-17)33-16-32-22)8-7-20(18)27-25(28-24)30-9-11-31-12-10-30/h1-6,13H,7-12,14-16H2
InChIKeyHTPBBYOBZKTASX-UHFFFAOYSA-N
XLogP3.53
TPSA69.18 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500464.50
LogP ≤ 53.53
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

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Related Compounds

6-(1,3-benzodioxol-5-ylmethyl)-4-(2,4-difluorophenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 42870693
3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 42870724
4-[6-[(2-fluoro-5-methylphenyl)methyl]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072361
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
6-(1,3-benzodioxol-5-ylmethyl)-4-(4-fluoro-3-methylphenoxy)-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidine
CID 46072435
4-[4-(2-fluorophenoxy)-6-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072363
4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072228
(3,5-dimethoxyphenyl)-[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methanone
CID 42871255
4-[4-(2-methylphenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 42870585
2-[[4-(2-fluorophenoxy)-2-(4-methylpiperidin-1-yl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]-6-methoxyphenol
CID 46072530
4-[4-(3-methoxyphenoxy)-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072447
4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 42870646

Frequently Asked Questions

What is the IUPAC name of 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 46072518) is 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is Fc1ccccc1Oc1nc(N2CCOCC2)nc2c1CN(Cc1ccc3c(c1)OCO3)CC2.
What is the InChIKey of 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is HTPBBYOBZKTASX-UHFFFAOYSA-N. The full InChI is InChI=1S/C25H25FN4O4/c26-19-3-1-2-4-21(19)34-24-18-15-29(14-17-5-6-22-23(13-17)33-16-32-22)8-7-20(18)27-25(28-24)30-9-11-31-12-10-30/h1-6,13H,7-12,14-16H2.
What are the key properties of 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 464.50 g/mol, XLogP of 3.53, 5 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 46072518), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).