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

C22H24N4O3 — CID 42870646

IUPAC4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccco2)CC3)cc1
InChIInChI=1S/C22H24N4O3/c1-2-5-17(6-3-1)29-21-19-16-25(15-18-7-4-12-28-18)9-8-20(19)23-22(24-21)26-10-13-27-14-11-26/h1-7,12H,8-11,13-16H2
InChIKeyQSOUJEOZHYBWJI-UHFFFAOYSA-N
MW392.46 g/mol
LogP3.26
Rot. Bonds5

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

4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (PubChem CID 42870646) has the molecular formula C22H24N4O3 and a molecular weight of 392.46 g/mol. Its IUPAC name is 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.

Molecular Properties

Compound Name4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
PubChem CID42870646
Molecular FormulaC22H24N4O3
Molecular Weight392.46 g/mol
Exact Mass392.18
IUPAC Name4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
SMILESc1ccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccco2)CC3)cc1
InChIInChI=1S/C22H24N4O3/c1-2-5-17(6-3-1)29-21-19-16-25(15-18-7-4-12-28-18)9-8-20(19)23-22(24-21)26-10-13-27-14-11-26/h1-7,12H,8-11,13-16H2
InChIKeyQSOUJEOZHYBWJI-UHFFFAOYSA-N
XLogP3.26
TPSA63.86 Ų
H-Bond Donors
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500392.46
LogP ≤ 53.26
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 107

Analyze 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine with MolForge

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Related Compounds

4-[4-(3-methoxyphenoxy)-6-(thiophen-2-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072235
1-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)-2-phenylethanone
CID 42871127
4-[6-[(4-fluorophenyl)methyl]-4-(2-methylphenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072197
4-[4-(3-methoxyphenoxy)-6-(thiophen-3-ylmethyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072447
4-[4-(3-methoxyphenoxy)-6-[[4-(trifluoromethyl)phenyl]methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072228
(4-chlorophenyl)-(2-morpholin-4-yl-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methanone
CID 42855427
4-[4-(2-methylphenoxy)-6-(2-methylpropyl)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 42870585
4-[6-[(2-fluoro-5-methylphenyl)methyl]-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072361
3-[(4-phenoxy-2-piperidin-1-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl)methyl]benzonitrile
CID 42870721
4-[6-(1,3-benzodioxol-5-ylmethyl)-4-(2-fluorophenoxy)-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072518
4-[4-(2-fluorophenoxy)-6-[(2-nitrophenyl)methyl]-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine
CID 46072363
3-[[4-(2-fluorophenoxy)-2-morpholin-4-yl-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-6-yl]methyl]benzonitrile
CID 42870724

Frequently Asked Questions

What is the IUPAC name of 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The IUPAC name of 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine (CID 42870646) is 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine.
What is the SMILES notation for 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The canonical SMILES for 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is c1ccc(Oc2nc(N3CCOCC3)nc3c2CN(Cc2ccco2)CC3)cc1.
What is the InChIKey of 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
The InChIKey is QSOUJEOZHYBWJI-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4O3/c1-2-5-17(6-3-1)29-21-19-16-25(15-18-7-4-12-28-18)9-8-20(19)23-22(24-21)26-10-13-27-14-11-26/h1-7,12H,8-11,13-16H2.
What are the key properties of 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine?
4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine has a molecular weight of 392.46 g/mol, XLogP of 3.26, 5 rotatable bonds, 0 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[6-(furan-2-ylmethyl)-4-phenoxy-7,8-dihydro-5H-pyrido[4,3-d]pyrimidin-2-yl]morpholine is sourced from PubChem (CID 42870646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).