(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol

C24H24N2O3 — CID 173143389

IUPAC(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol
SMILESCCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC[C@H](C)CO)c23)cc1
InChIInChI=1S/C24H24N2O3/c1-3-17-9-11-18(12-10-17)20-21-23(28-14-16(2)13-27)25-15-26-24(21)29-22(20)19-7-5-4-6-8-19/h4-12,15-16,27H,3,13-14H2,1-2H3/t16-/m1/s1
InChIKeyYHJUMMJVARFNOZ-MRXNPFEDSA-N
MW388.47 g/mol
LogP5.13
Rot. Bonds7

About (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol

(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol (PubChem CID 173143389) has the molecular formula C24H24N2O3 and a molecular weight of 388.47 g/mol. Its IUPAC name is (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol.

Molecular Properties

Compound Name(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol
PubChem CID173143389
Molecular FormulaC24H24N2O3
Molecular Weight388.47 g/mol
Exact Mass388.18
IUPAC Name(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol
SMILESCCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC[C@H](C)CO)c23)cc1
InChIInChI=1S/C24H24N2O3/c1-3-17-9-11-18(12-10-17)20-21-23(28-14-16(2)13-27)25-15-26-24(21)29-22(20)19-7-5-4-6-8-19/h4-12,15-16,27H,3,13-14H2,1-2H3/t16-/m1/s1
InChIKeyYHJUMMJVARFNOZ-MRXNPFEDSA-N
XLogP5.13
TPSA68.38 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms29
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500388.47
LogP ≤ 55.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Analyze (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

2-[(1S,3R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopentyl]oxyacetic acid
CID 58280066
tert-butyl 2-[4-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxycyclopent-2-en-1-yl]oxyacetate
CID 67159886
4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypentan-2-ol
CID 58016930
3-hydroxypropanoic acid;5-(4-methoxyphenyl)-6-phenyl-4-propoxyfuro[2,3-d]pyrimidine
CID 143503801
2-[4-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxybutan-2-yloxy]acetic acid
CID 69078820
6-[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyhexanoic acid
CID 58016957
(2R)-1-[(5,6-diphenylfuro[2,3-d]pyrimidin-4-yl)amino]propan-2-ol
CID 46855198
ethyl 2-[(2R)-3-[5-(4-methoxyphenyl)-6-pyridin-2-ylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropoxy]acetate
CID 58337972
methyl 4-[(3R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxypiperidin-1-yl]butanoate
CID 58280061
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556
tert-butyl (6R)-6-[5-(5-ethyl-2-pyridinyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxyheptanoate
CID 25124064

Frequently Asked Questions

What is the IUPAC name of (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol?
The IUPAC name of (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol (CID 173143389) is (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol.
What is the SMILES notation for (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol?
The canonical SMILES for (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol is CCc1ccc(-c2c(-c3ccccc3)oc3ncnc(OC[C@H](C)CO)c23)cc1.
What is the InChIKey of (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol?
The InChIKey is YHJUMMJVARFNOZ-MRXNPFEDSA-N. The full InChI is InChI=1S/C24H24N2O3/c1-3-17-9-11-18(12-10-17)20-21-23(28-14-16(2)13-27)25-15-26-24(21)29-22(20)19-7-5-4-6-8-19/h4-12,15-16,27H,3,13-14H2,1-2H3/t16-/m1/s1.
What are the key properties of (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol?
(2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol has a molecular weight of 388.47 g/mol, XLogP of 5.13, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-3-[5-(4-ethylphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]oxy-2-methylpropan-1-ol is sourced from PubChem (CID 173143389), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).