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

C15H16N4 — CID 54139219

IUPAC5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc2[nH]c(C)c(C)c12
InChIInChI=1S/C15H16N4/c1-9-6-4-5-7-12(9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyNZXFKOFMRZDCEW-UHFFFAOYSA-N
MW252.32 g/mol
LogP3.63
Rot. Bonds2

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

5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 54139219) has the molecular formula C15H16N4 and a molecular weight of 252.32 g/mol. Its IUPAC name is 5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID54139219
Molecular FormulaC15H16N4
Molecular Weight252.32 g/mol
Exact Mass252.14
IUPAC Name5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCc1ccccc1Nc1ncnc2[nH]c(C)c(C)c12
InChIInChI=1S/C15H16N4/c1-9-6-4-5-7-12(9)19-15-13-10(2)11(3)18-14(13)16-8-17-15/h4-8H,1-3H3,(H2,16,17,18,19)
InChIKeyNZXFKOFMRZDCEW-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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Related Compounds

6-chloro-5-methyl-N-(2-methylphenyl)pyrimidin-4-amine
CID 63734039
N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 13492273
4-N-(3,5-dimethylphenyl)-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 22540987
4-N-(2-methylphenyl)-5-propan-2-ylpyrimidine-4,6-diamine
CID 80754772
4-N-(2-methylphenyl)-6-(2-phenylhydrazinyl)pyrimidine-4,5-diamine
CID 19144322
2-N-(2-methylphenyl)pyridine-2,3-diamine
CID 13143782
6,7-dimethyl-N-(2-methylphenyl)quinazolin-4-amine
CID 18685587
4-amino-6-(2-methylanilino)pyrimidine-5-carbaldehyde
CID 123774955
4-N,4-N-diethyl-6-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19136767
4-N,6-N-bis(2-methylphenyl)pyrimidine-4,6-diamine
CID 112864815
ethyl 4-(2-methylanilino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
CID 46340158
6-N-(3-methylbutyl)-4-N-(2-methylphenyl)pyrimidine-4,5,6-triamine
CID 19147842

Frequently Asked Questions

What is the IUPAC name of 5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of 5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 54139219) is 5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is Cc1ccccc1Nc1ncnc2[nH]c(C)c(C)c12.
What is the InChIKey of 5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is NZXFKOFMRZDCEW-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16N4/c1-9-6-4-5-7-12(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-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
5,6-dimethyl-N-(2-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-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 54139219), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).