7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

C15H16N4 — CID 3000181

IUPAC7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C15H16N4/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyWVJFFHQKDQYWCI-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.68
Rot. Bonds2

About 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine

7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 3000181) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID3000181
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1c(C)n(Cc2ccccc2)c2ncnc(N)c12
InChIInChI=1S/C15H16N4/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3,(H2,16,17,18)
InChIKeyWVJFFHQKDQYWCI-UHFFFAOYSA-N
XLogP2.68
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 3000181) is 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1c(C)n(Cc2ccccc2)c2ncnc(N)c12.
What is the InChIKey of 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is WVJFFHQKDQYWCI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-10-11(2)19(8-12-6-4-3-5-7-12)15-13(10)14(16)17-9-18-15/h3-7,9H,8H2,1-2H3,(H2,16,17,18).
What are the key properties of 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.68, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-benzyl-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 3000181), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).