(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol

C22H21N3O3 — CID 134154708

IUPAC(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
SMILESCOc1ccc(-c2cc3c(N[C@H](CCO)c4ccccc4)ncnc3o2)cc1
InChIInChI=1S/C22H21N3O3/c1-27-17-9-7-16(8-10-17)20-13-18-21(23-14-24-22(18)28-20)25-19(11-12-26)15-5-3-2-4-6-15/h2-10,13-14,19,26H,11-12H2,1H3,(H,23,24,25)/t19-/m1/s1
InChIKeyDQBAMHZHOAVYCJ-LJQANCHMSA-N
MW375.43 g/mol
LogP4.43
Rot. Bonds7

About (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol

(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol (PubChem CID 134154708) has the molecular formula C22H21N3O3 and a molecular weight of 375.43 g/mol. Its IUPAC name is (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol.

Molecular Properties

Compound Name(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
PubChem CID134154708
Molecular FormulaC22H21N3O3
Molecular Weight375.43 g/mol
Exact Mass375.16
IUPAC Name(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol
SMILESCOc1ccc(-c2cc3c(N[C@H](CCO)c4ccccc4)ncnc3o2)cc1
InChIInChI=1S/C22H21N3O3/c1-27-17-9-7-16(8-10-17)20-13-18-21(23-14-24-22(18)28-20)25-19(11-12-26)15-5-3-2-4-6-15/h2-10,13-14,19,26H,11-12H2,1H3,(H,23,24,25)/t19-/m1/s1
InChIKeyDQBAMHZHOAVYCJ-LJQANCHMSA-N
XLogP4.43
TPSA80.41 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500375.43
LogP ≤ 54.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol with MolForge

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Related Compounds

4-[4-[[(1S)-2-hydroxy-1-phenylethyl]amino]furo[2,3-d]pyrimidin-6-yl]phenol
CID 134155401
(2S)-2-[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol
CID 59322556
(2R)-2-(4-methoxyphenyl)-2-[(6-phenylthieno[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 176515272
4-(4-methoxyphenyl)sulfanyl-6-phenylfuro[2,3-d]pyrimidine
CID 3326053
6-(4-methylphenyl)-N-phenylfuro[2,3-d]pyrimidin-4-amine
CID 11681004
methyl 6-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]hexanoate
CID 25123737
[[5-(4-methoxyphenyl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]methanol
CID 58016781
(3R)-3-[(2,4-dimethoxyphenyl)methylamino]-3-phenylpropan-1-ol
CID 111449960
(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;[(2S)-2-[(5-bromo-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethyl] acetate;(2S)-2-[(5-chloro-6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]-2-phenylethanol;(2S)-2-[[5-(furan-3-yl)-6-phenylfuro[2,3-d]pyrimidin-4-yl]amino]-2-phenylethanol;(2S)-2-phenyl-2-[(6-phenylfuro[2,3-d]pyrimidin-4-yl)amino]ethanol
CID 160728187
4-(2-methoxyphenoxy)-6-phenylfuro[2,3-d]pyrimidine
CID 1481287
1-[(1R)-3-hydroxy-1-phenylpropyl]-3-[1-(4-methoxyphenyl)propyl]urea
CID 111454052
(3R)-3-[1-(3-methoxyphenyl)ethylamino]-3-phenylpropan-1-ol
CID 111755727

Frequently Asked Questions

What is the IUPAC name of (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The IUPAC name of (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol (CID 134154708) is (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol.
What is the SMILES notation for (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The canonical SMILES for (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol is COc1ccc(-c2cc3c(N[C@H](CCO)c4ccccc4)ncnc3o2)cc1.
What is the InChIKey of (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
The InChIKey is DQBAMHZHOAVYCJ-LJQANCHMSA-N. The full InChI is InChI=1S/C22H21N3O3/c1-27-17-9-7-16(8-10-17)20-13-18-21(23-14-24-22(18)28-20)25-19(11-12-26)15-5-3-2-4-6-15/h2-10,13-14,19,26H,11-12H2,1H3,(H,23,24,25)/t19-/m1/s1.
What are the key properties of (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol?
(3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol has a molecular weight of 375.43 g/mol, XLogP of 4.43, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (3R)-3-[[6-(4-methoxyphenyl)furo[2,3-d]pyrimidin-4-yl]amino]-3-phenylpropan-1-ol is sourced from PubChem (CID 134154708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).