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

C19H15BrN4O — CID 90989523

IUPAC6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESBrc1cc2c(Nc3cccc(OCc4ccccc4)c3)ncnc2[nH]1
InChIInChI=1S/C19H15BrN4O/c20-17-10-16-18(21-12-22-19(16)24-17)23-14-7-4-8-15(9-14)25-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,21,22,23,24)
InChIKeyKHCFUKLAYSBQAD-UHFFFAOYSA-N
MW395.26 g/mol
LogP5.04
Rot. Bonds5

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

6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 90989523) has the molecular formula C19H15BrN4O and a molecular weight of 395.26 g/mol. Its IUPAC name is 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID90989523
Molecular FormulaC19H15BrN4O
Molecular Weight395.26 g/mol
Exact Mass394.04
IUPAC Name6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESBrc1cc2c(Nc3cccc(OCc4ccccc4)c3)ncnc2[nH]1
InChIInChI=1S/C19H15BrN4O/c20-17-10-16-18(21-12-22-19(16)24-17)23-14-7-4-8-15(9-14)25-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,21,22,23,24)
InChIKeyKHCFUKLAYSBQAD-UHFFFAOYSA-N
XLogP5.04
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500395.26
LogP ≤ 55.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidine-6-carboxylic acid
CID 177257041
4-N-(3-phenylmethoxyphenyl)benzene-1,4-diamine
CID 171831022
6-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566009
naphthalen-1-yl-[4-(3-phenylmethoxyanilino)-7H-pyrrolo[2,3-d]pyrimidin-5-yl]methanone
CID 58327767
5-bromo-N-(3-phenylmethoxyphenyl)pyridin-2-amine
CID 130566029
(3-phenylmethoxyphenyl)hydrazine;hydrochloride
CID 12891839
3-[(4-methylphenyl)methyl]-N-(3-phenylmethoxyphenyl)triazolo[4,5-d]pyrimidin-7-amine
CID 158528573
6,8-dibromo-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 23966453
6-fluoro-N-(4-phenylmethoxyphenyl)quinazolin-4-amine
CID 54550318
N-benzyl-3-phenylmethoxyaniline
CID 54801332
2-fluoro-N-(3-phenylmethoxyphenyl)pyrimidin-4-amine
CID 164645110
N-[3-(2-aminoethoxy)phenyl]-6-methylthieno[2,3-d]pyrimidin-4-amine
CID 63616720

Frequently Asked Questions

What is the IUPAC name of 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 90989523) is 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Brc1cc2c(Nc3cccc(OCc4ccccc4)c3)ncnc2[nH]1.
What is the InChIKey of 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is KHCFUKLAYSBQAD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H15BrN4O/c20-17-10-16-18(21-12-22-19(16)24-17)23-14-7-4-8-15(9-14)25-11-13-5-2-1-3-6-13/h1-10,12H,11H2,(H2,21,22,23,24).
What are the key properties of 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 395.26 g/mol, XLogP of 5.04, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-bromo-N-(3-phenylmethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 90989523), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).