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

C15H16N4 — CID 4962418

IUPAC5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-n2c(C)c(C)c3c(N)ncnc32)c1
InChIInChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-11(3)10(2)13-14(16)17-8-18-15(13)19/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyPDGMDLPWPGHAPU-UHFFFAOYSA-N
MW252.32 g/mol
LogP2.93
Rot. Bonds1

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

5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 4962418) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID4962418
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1cccc(-n2c(C)c(C)c3c(N)ncnc32)c1
InChIInChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-11(3)10(2)13-14(16)17-8-18-15(13)19/h4-8H,1-3H3,(H2,16,17,18)
InChIKeyPDGMDLPWPGHAPU-UHFFFAOYSA-N
XLogP2.93
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500252.32
LogP ≤ 52.93
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine (CID 4962418) is 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is Cc1cccc(-n2c(C)c(C)c3c(N)ncnc32)c1.
What is the InChIKey of 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is PDGMDLPWPGHAPU-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-5-4-6-12(7-9)19-11(3)10(2)13-14(16)17-8-18-15(13)19/h4-8H,1-3H3,(H2,16,17,18).
What are the key properties of 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 252.32 g/mol, XLogP of 2.93, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5,6-dimethyl-7-(3-methylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 4962418), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).