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

C14H14N4O — CID 110875110

IUPACN-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C14H14N4O/c1-2-19-11-5-3-10(4-6-11)18-14-12-7-8-15-13(12)16-9-17-14/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyPXXWFJIPORGVTM-UHFFFAOYSA-N
MW254.29 g/mol
LogP3.10
Rot. Bonds4

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

N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875110) has the molecular formula C14H14N4O and a molecular weight of 254.29 g/mol. Its IUPAC name is N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875110
Molecular FormulaC14H14N4O
Molecular Weight254.29 g/mol
Exact Mass254.12
IUPAC NameN-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCOc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C14H14N4O/c1-2-19-11-5-3-10(4-6-11)18-14-12-7-8-15-13(12)16-9-17-14/h3-9H,2H2,1H3,(H2,15,16,17,18)
InChIKeyPXXWFJIPORGVTM-UHFFFAOYSA-N
XLogP3.10
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.29
LogP ≤ 53.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110875110) is N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCOc1ccc(Nc2ncnc3[nH]ccc23)cc1.
What is the InChIKey of N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PXXWFJIPORGVTM-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4O/c1-2-19-11-5-3-10(4-6-11)18-14-12-7-8-15-13(12)16-9-17-14/h3-9H,2H2,1H3,(H2,15,16,17,18).
What are the key properties of N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 254.29 g/mol, XLogP of 3.10, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).