3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine

C25H26N2O6 — CID 143503801

IUPAC3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine
SMILESCCCOc1ncnc2oc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.O=C(O)CCO
InChIInChI=1S/C22H20N2O3.C3H6O3/c1-3-13-26-21-19-18(15-9-11-17(25-2)12-10-15)20(16-7-5-4-6-8-16)27-22(19)24-14-23-21;4-2-1-3(5)6/h4-12,14H,3,13H2,1-2H3;4H,1-2H2,(H,5,6)
InChIKeyGFHHOHYEDYNIGT-UHFFFAOYSA-N
MW450.49 g/mol
LogP4.81
Rot. Bonds8

About 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine

3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine (PubChem CID 143503801) has the molecular formula C25H26N2O6 and a molecular weight of 450.49 g/mol. Its IUPAC name is 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine.

Molecular Properties

Compound Name3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine
PubChem CID143503801
Molecular FormulaC25H26N2O6
Molecular Weight450.49 g/mol
Exact Mass450.18
IUPAC Name3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine
SMILESCCCOc1ncnc2oc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.O=C(O)CCO
InChIInChI=1S/C22H20N2O3.C3H6O3/c1-3-13-26-21-19-18(15-9-11-17(25-2)12-10-15)20(16-7-5-4-6-8-16)27-22(19)24-14-23-21;4-2-1-3(5)6/h4-12,14H,3,13H2,1-2H3;4H,1-2H2,(H,5,6)
InChIKeyGFHHOHYEDYNIGT-UHFFFAOYSA-N
XLogP4.81
TPSA114.91 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms33
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500450.49
LogP ≤ 54.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
CID 58016957
2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid
CID 69078820
3-butan-2-yloxypropanoic acid;5-(4-methoxyphenyl)-4-methyl-6-phenylfuro[2,3-d]pyrimidine
CID 143503809
4-[2-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypropyl-methylamino]butanoic acid
CID 25096159
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
2-[(1R,3S)-3-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280263
4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypentan-2-ol
CID 58016930
5-(4-methoxyphenyl)-6-phenyl-4-[5-(2H-tetrazol-5-yl)pentoxy]furo[2,3-d]pyrimidine
CID 58016975
sodium 6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyheptanoate
CID 69076861
5-(4-methoxyphenyl)-6-phenyl-4-(2H-tetrazol-5-ylmethoxy)furo[2,3-d]pyrimidine
CID 58016963
6-(4-methoxyphenyl)-5-(4-phenylphenyl)furo[2,3-d]pyrimidin-4-amine
CID 10271893
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556

Frequently Asked Questions

What is the IUPAC name of 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine?
The IUPAC name of 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine (CID 143503801) is 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine.
What is the SMILES notation for 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine?
The canonical SMILES for 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine is CCCOc1ncnc2oc(-c3ccccc3)c(-c3ccc(OC)cc3)c12.O=C(O)CCO.
What is the InChIKey of 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine?
The InChIKey is GFHHOHYEDYNIGT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H20N2O3.C3H6O3/c1-3-13-26-21-19-18(15-9-11-17(25-2)12-10-15)20(16-7-5-4-6-8-16)27-22(19)24-14-23-21;4-2-1-3(5)6/h4-12,14H,3,13H2,1-2H3;4H,1-2H2,(H,5,6).
What are the key properties of 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine?
3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine has a molecular weight of 450.49 g/mol, XLogP of 4.81, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine is sourced from PubChem (CID 143503801), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).