4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

C15H13N5O — CID 510418

IUPAC4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1cn(COCc2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C15H13N5O/c16-6-12-7-20(15-13(12)14(17)18-9-19-15)10-21-8-11-4-2-1-3-5-11/h1-5,7,9H,8,10H2,(H2,17,18,19)
InChIKeyCYHDBQNCWITTLR-UHFFFAOYSA-N
MW279.30 g/mol
LogP2.06
Rot. Bonds4

About 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile

4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (PubChem CID 510418) has the molecular formula C15H13N5O and a molecular weight of 279.30 g/mol. Its IUPAC name is 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.

Molecular Properties

Compound Name4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
PubChem CID510418
Molecular FormulaC15H13N5O
Molecular Weight279.30 g/mol
Exact Mass279.11
IUPAC Name4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
SMILESN#Cc1cn(COCc2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C15H13N5O/c16-6-12-7-20(15-13(12)14(17)18-9-19-15)10-21-8-11-4-2-1-3-5-11/h1-5,7,9H,8,10H2,(H2,17,18,19)
InChIKeyCYHDBQNCWITTLR-UHFFFAOYSA-N
XLogP2.06
TPSA89.75 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500279.30
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-phenyl-7-(2-phenylmethoxyethoxymethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 11646472
5-benzyl-7-ethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 161037296
4-ethoxy-7-(2-methoxyethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 10564387
4-amino-6-methyl-7-(2-phenylethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile
CID 22943282
4-[4-amino-7-[[2-(2-fluorophenyl)-3H-pyrrol-4-yl]methyl]pyrrolo[2,3-d]pyrimidin-5-yl]-2-fluorobenzonitrile
CID 147215123
9-[1,3-bis(phenylmethoxy)propoxymethyl]purin-6-amine
CID 68910617
1-methyl-3-(4-phenylmethoxyphenyl)pyrazolo[3,4-d]pyrimidin-4-amine
CID 52942202
9-[[3,3-difluoro-2-(phenylmethoxymethyl)cyclopropen-1-yl]methyl]purin-6-amine
CID 11078416
7-(2-methylpropyl)-5-phenylpyrrolo[2,3-d]pyrimidin-4-amine
CID 57308498
3-[3-(phenylmethoxymethyl)cyclohexyl]triazolo[4,5-d]pyrimidin-7-amine
CID 139295787
2-amino-1-benzylpyrrole-3,4-di(15N)carbonitrile
CID 101051404
5-benzyl-7-tert-butylpyrrolo[2,3-d]pyrimidin-4-amine;ethane
CID 158005663

Frequently Asked Questions

What is the IUPAC name of 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The IUPAC name of 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile (CID 510418) is 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile.
What is the SMILES notation for 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The canonical SMILES for 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is N#Cc1cn(COCc2ccccc2)c2ncnc(N)c12.
What is the InChIKey of 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
The InChIKey is CYHDBQNCWITTLR-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H13N5O/c16-6-12-7-20(15-13(12)14(17)18-9-19-15)10-21-8-11-4-2-1-3-5-11/h1-5,7,9H,8,10H2,(H2,17,18,19).
What are the key properties of 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile?
4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile has a molecular weight of 279.30 g/mol, XLogP of 2.06, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-amino-7-(phenylmethoxymethyl)pyrrolo[2,3-d]pyrimidine-5-carbonitrile is sourced from PubChem (CID 510418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).