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

C19H16N4O — CID 139832427

IUPACN-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C19H16N4O/c1-2-4-14(5-3-1)12-24-16-8-6-15(7-9-16)23-19-17-10-11-20-18(17)21-13-22-19/h1-11,13H,12H2,(H2,20,21,22,23)
InChIKeyGSVSRJBZRJBGOQ-UHFFFAOYSA-N
MW316.36 g/mol
LogP4.28
Rot. Bonds5

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

N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 139832427) has the molecular formula C19H16N4O and a molecular weight of 316.36 g/mol. Its IUPAC name is N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID139832427
Molecular FormulaC19H16N4O
Molecular Weight316.36 g/mol
Exact Mass316.13
IUPAC NameN-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESc1ccc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1
InChIInChI=1S/C19H16N4O/c1-2-4-14(5-3-1)12-24-16-8-6-15(7-9-16)23-19-17-10-11-20-18(17)21-13-22-19/h1-11,13H,12H2,(H2,20,21,22,23)
InChIKeyGSVSRJBZRJBGOQ-UHFFFAOYSA-N
XLogP4.28
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.36
LogP ≤ 54.28
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-((2-((4-Cyanophenyl)amino)-7h-pyrrolo[2,3-d]pyrimidin-4-yl)oxy)-3,5-dimethylbenzonitrile
CID 57693582
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-Chloro-N4-[3,5-difluoro-4-[(3-methyl-1H-pyrrolo[2,3-b]pyridin-4-yl)oxy]phenyl]-2,4-pyrimidinediamine
CID 11524200
2-(4-fluorophenyl)-N-{[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]carbamoyl}acetamide
CID 11560856
1-(4-fluorophenyl)-N-[3-fluoro-4-(1H-pyrrolo[2,3-b]pyridin-4-yloxy)phenyl]-2-oxo-1,2-dihydropyridine-3-carboxamide
CID 21081761
Meriolin 3
CID 23727981
Meriolin 5
CID 23727982
N-(4-methoxyphenyl)-2-pyridin-4-ylquinazolin-4-amine
CID 877998
N'-(8-ethoxy-5H-pyrimido[5,4-b]indol-4-yl)-N,N-dimethylethane-1,2-diamine
CID 943137
2,4-Disubstituted Pyrimidine 2g
CID 5329420
O6-Cyclohexylmethylguanine deriv. 26
CID 5329560

Frequently Asked Questions

What is the IUPAC name of N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 139832427) is N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is c1ccc(COc2ccc(Nc3ncnc4[nH]ccc34)cc2)cc1.
What is the InChIKey of N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is GSVSRJBZRJBGOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H16N4O/c1-2-4-14(5-3-1)12-24-16-8-6-15(7-9-16)23-19-17-10-11-20-18(17)21-13-22-19/h1-11,13H,12H2,(H2,20,21,22,23).
What are the key properties of N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 316.36 g/mol, XLogP of 4.28, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 139832427), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).