6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C19H16N4O — CID 152823920

IUPAC6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc12
InChIInChI=1S/C19H16N4O/c20-18-16-10-17(23-19(16)22-12-21-18)14-6-8-15(9-7-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,20,21,22,23)
InChIKeySULGLKHDCJKSLZ-UHFFFAOYSA-N
MW316.36 g/mol
LogP3.79
Rot. Bonds4

About 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 152823920) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID152823920
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC Name6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESNc1ncnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc12
InChIInChI=1S/C19H16N4O/c20-18-16-10-17(23-19(16)22-12-21-18)14-6-8-15(9-7-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,20,21,22,23)
InChIKeySULGLKHDCJKSLZ-UHFFFAOYSA-N
XLogP3.79
TPSA76.82 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 53.79
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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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
Ibrutinib N-desacryloyl impurity
CID 58223272
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
3-(4-phenoxyphenyl)-1H-pyrazolo(3,4-d)pyrimidin-4-amine
CID 22346757
Pci 29732
CID 22347110
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-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 152823920) is 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Nc1ncnc2[nH]c(-c3ccc(OCc4ccccc4)cc3)cc12.
What is the InChIKey of 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is SULGLKHDCJKSLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c20-18-16-10-17(23-19(16)22-12-21-18)14-6-8-15(9-7-14)24-11-13-4-2-1-3-5-13/h1-10,12H,11H2,(H3,20,21,22,23).
What are the key properties of 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 3.79, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 152823920), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).