7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine

C17H20N4 — CID 43159203

IUPAC7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(-n2c(C)c(C)c3c(N)nc(C)nc32)c1
InChIInChI=1S/C17H20N4/c1-9-6-7-10(2)14(8-9)21-12(4)11(3)15-16(18)19-13(5)20-17(15)21/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyRDVLONYWCNTRGN-UHFFFAOYSA-N
MW280.38 g/mol
LogP3.54
Rot. Bonds1

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

7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 43159203) has the molecular formula C17H20N4 and a molecular weight of 280.38 g/mol. Its IUPAC name is 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID43159203
Molecular FormulaC17H20N4
Molecular Weight280.38 g/mol
Exact Mass280.17
IUPAC Name7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccc(C)c(-n2c(C)c(C)c3c(N)nc(C)nc32)c1
InChIInChI=1S/C17H20N4/c1-9-6-7-10(2)14(8-9)21-12(4)11(3)15-16(18)19-13(5)20-17(15)21/h6-8H,1-5H3,(H2,18,19,20)
InChIKeyRDVLONYWCNTRGN-UHFFFAOYSA-N
XLogP3.54
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.38
LogP ≤ 53.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2,5,6-trimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 174441995
7-(3-fluoro-4-methylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337078
7-(2-bromo-4-methylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43337037
3-(2,5-dimethylphenyl)-6-methylimidazo[4,5-b]pyridin-2-amine
CID 79301322
10-(2,4-dimethylphenyl)-11,12-dimethyl-4-(4-methylphenyl)-3,5,6,8,10-pentazatricyclo[7.3.0.02,6]dodeca-1(9),2,4,7,11-pentaene
CID 20898435
1-(2,5-dimethylphenyl)-3,4,5-trimethylpyrazole
CID 55029368
2,5,6-trimethyl-7-[(4-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 114957254
7-(2,3-dimethylphenyl)-5,6-dimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 43336950
2,5,6-trimethyl-7-piperidin-1-ylpyrrolo[2,3-d]pyrimidin-4-amine
CID 83023026
7-[2-(5-bromothiophen-2-yl)ethyl]-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine
CID 106038847
2,5,6-trimethyl-7-[(6-methyl-3-pyridinyl)methyl]pyrrolo[2,3-d]pyrimidin-4-amine
CID 62991699
2,5,6-trimethyl-7-(1,2-oxazol-5-ylmethyl)pyrrolo[2,3-d]pyrimidin-4-amine
CID 106420804

Frequently Asked Questions

What is the IUPAC name of 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine (CID 43159203) is 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccc(C)c(-n2c(C)c(C)c3c(N)nc(C)nc32)c1.
What is the InChIKey of 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is RDVLONYWCNTRGN-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4/c1-9-6-7-10(2)14(8-9)21-12(4)11(3)15-16(18)19-13(5)20-17(15)21/h6-8H,1-5H3,(H2,18,19,20).
What are the key properties of 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine?
7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 280.38 g/mol, XLogP of 3.54, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 7-(2,5-dimethylphenyl)-2,5,6-trimethylpyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 43159203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).