5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

C15H16N4 — CID 10848423

IUPAC5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3[nH]c(C)c(C)c23)c1
InChIInChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyAHLNGYPZYMUEFB-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.63
Rot. Bonds2

About 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine

5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 10848423) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID10848423
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(Nc2ncnc3[nH]c(C)c(C)c23)c1
InChIInChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyAHLNGYPZYMUEFB-UHFFFAOYSA-N
XLogP3.63
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 53.63
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 10848423) is 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(Nc2ncnc3[nH]c(C)c(C)c23)c1.
What is the InChIKey of 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is AHLNGYPZYMUEFB-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19).
What are the key properties of 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 3.63, 2 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-N-(3-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 10848423), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).