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

C13H12N4O — CID 110875107

IUPACN-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyDJHHJFCJDPLIQB-UHFFFAOYSA-N
MW240.27 g/mol
LogP2.71
Rot. Bonds3

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

N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 110875107) has the molecular formula C13H12N4O and a molecular weight of 240.27 g/mol. Its IUPAC name is N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID110875107
Molecular FormulaC13H12N4O
Molecular Weight240.27 g/mol
Exact Mass240.10
IUPAC NameN-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(Nc2ncnc3[nH]ccc23)cc1
InChIInChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17)
InChIKeyDJHHJFCJDPLIQB-UHFFFAOYSA-N
XLogP2.71
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500240.27
LogP ≤ 52.71
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 110875107) is N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(Nc2ncnc3[nH]ccc23)cc1.
What is the InChIKey of N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is DJHHJFCJDPLIQB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H12N4O/c1-18-10-4-2-9(3-5-10)17-13-11-6-7-14-12(11)15-8-16-13/h2-8H,1H3,(H2,14,15,16,17).
What are the key properties of N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 240.27 g/mol, XLogP of 2.71, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-methoxyphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 110875107), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).