7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C15H16N4O — CID 4962416

IUPAC7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2c(C)c(C)c3c(N)ncnc32)cc1
InChIInChI=1S/C15H16N4O/c1-9-10(2)19(11-4-6-12(20-3)7-5-11)15-13(9)14(16)17-8-18-15/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyWCUGJOJSGAXETJ-UHFFFAOYSA-N
MW268.32 g/mol
LogP2.63
Rot. Bonds2

About 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4962416) has the molecular formula C15H16N4O and a molecular weight of 268.32 g/mol. Its IUPAC name is 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4962416
Molecular FormulaC15H16N4O
Molecular Weight268.32 g/mol
Exact Mass268.13
IUPAC Name7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCOc1ccc(-n2c(C)c(C)c3c(N)ncnc32)cc1
InChIInChI=1S/C15H16N4O/c1-9-10(2)19(11-4-6-12(20-3)7-5-11)15-13(9)14(16)17-8-18-15/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyWCUGJOJSGAXETJ-UHFFFAOYSA-N
XLogP2.63
TPSA65.96 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.32
LogP ≤ 52.63
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 4962416) is 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is COc1ccc(-n2c(C)c(C)c3c(N)ncnc32)cc1.
What is the InChIKey of 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WCUGJOJSGAXETJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4O/c1-9-10(2)19(11-4-6-12(20-3)7-5-11)15-13(9)14(16)17-8-18-15/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 268.32 g/mol, XLogP of 2.63, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(4-methoxyphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4962416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).