6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C22H22N4O — CID 162667638

IUPAC6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1
InChIInChI=1S/C22H22N4O/c1-3-27-20-12-8-7-11-17(20)19-13-18-21(23-14-24-22(18)26-19)25-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H2,23,24,25,26)/t15-/m1/s1
InChIKeyGAUBIWZQEGWAKV-OAHLLOKOSA-N
MW358.45 g/mol
LogP5.20
Rot. Bonds6

About 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 162667638) has the molecular formula C22H22N4O and a molecular weight of 358.45 g/mol. Its IUPAC name is 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID162667638
Molecular FormulaC22H22N4O
Molecular Weight358.45 g/mol
Exact Mass358.18
IUPAC Name6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1
InChIInChI=1S/C22H22N4O/c1-3-27-20-12-8-7-11-17(20)19-13-18-21(23-14-24-22(18)26-19)25-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H2,23,24,25,26)/t15-/m1/s1
InChIKeyGAUBIWZQEGWAKV-OAHLLOKOSA-N
XLogP5.20
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500358.45
LogP ≤ 55.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

Pki-166
CID 6918403
4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
Tws119
CID 9549289
7-butyl-6-(4-methoxyphenyl)-5H-pyrrolo[2,3-b]pyrazine
CID 3641059
7-Cyclopentyl-5-(4-phenoxy)phenyl-7H-pyrrolo(2,3-d)pyrimidin-4-ylamine
CID 6603792
6-{4-[2-(Dimethylamino)ethoxy]phenyl}-N-(1,3-Dithiolan-2-Ylmethyl)-5-Phenyl-7h-Pyrrolo[2,3-D]pyrimidin-4-Amine
CID 11576813
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
N-(2-methoxybenzyl)-9H-purin-6-amine
CID 756722
N-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-propan-2-yloxy-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
CID 139210950
N-[3-[6-[4-(4-methylpiperazin-1-yl)phenyl]-4-(2-methylpropoxy)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]phenyl]propanamide
CID 139210951
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137

Frequently Asked Questions

What is the IUPAC name of 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 162667638) is 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCOc1ccccc1-c1cc2c(N[C@H](C)c3ccccc3)ncnc2[nH]1.
What is the InChIKey of 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GAUBIWZQEGWAKV-OAHLLOKOSA-N. The full InChI is InChI=1S/C22H22N4O/c1-3-27-20-12-8-7-11-17(20)19-13-18-21(23-14-24-22(18)26-19)25-15(2)16-9-5-4-6-10-16/h4-15H,3H2,1-2H3,(H2,23,24,25,26)/t15-/m1/s1.
What are the key properties of 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 358.45 g/mol, XLogP of 5.20, 6 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2-ethoxyphenyl)-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 162667638), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).