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

C16H18N4 — CID 13492273

IUPACN-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2ncnc3[nH]c(C)c(C)c23)cc1
InChIInChI=1S/C16H18N4/c1-4-12-5-7-13(8-6-12)20-16-14-10(2)11(3)19-15(14)17-9-18-16/h5-9H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyUMKKKGITXSYWJE-UHFFFAOYSA-N
MW266.35 g/mol
LogP3.88
Rot. Bonds3

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

N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (PubChem CID 13492273) has the molecular formula C16H18N4 and a molecular weight of 266.35 g/mol. Its IUPAC name is N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
PubChem CID13492273
Molecular FormulaC16H18N4
Molecular Weight266.35 g/mol
Exact Mass266.15
IUPAC NameN-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
SMILESCCc1ccc(Nc2ncnc3[nH]c(C)c(C)c23)cc1
InChIInChI=1S/C16H18N4/c1-4-12-5-7-13(8-6-12)20-16-14-10(2)11(3)19-15(14)17-9-18-16/h5-9H,4H2,1-3H3,(H2,17,18,19,20)
InChIKeyUMKKKGITXSYWJE-UHFFFAOYSA-N
XLogP3.88
TPSA53.60 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.35
LogP ≤ 53.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Related Compounds

4-N-(4-ethylphenyl)-6-N-(4-methylphenyl)pyrimidine-4,5,6-triamine
CID 22544339
5-ethyl-N-(4-ethylphenyl)-6-methylpyrimidin-4-amine
CID 13121249
5,6-dimethyl-N-(2-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 54139219
4-N-(3,4-dimethylphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544240
4-N-[5-(4-ethylphenyl)-6-methylthieno[2,3-d]pyrimidin-4-yl]benzene-1,4-diamine
CID 28852465
4-N-(4-butoxyphenyl)-6-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544296
6-(2-tert-butylhydrazinyl)-4-N-(4-ethylphenyl)pyrimidine-4,5-diamine
CID 22544389
4-N-(4-ethylphenyl)-6-N-prop-2-enylpyrimidine-4,5,6-triamine
CID 22544255
6-hydrazinyl-5-methyl-N-(4-propylphenyl)pyrimidin-4-amine
CID 80894168
N-(4-ethylphenyl)-1H-imidazo[4,5-g]quinazolin-8-amine
CID 11460447
N-(4-ethylphenyl)-6-methylsulfonylquinazolin-4-amine
CID 119045563
6-N-[(4-chlorophenyl)methyl]-4-N-(4-ethylphenyl)pyrimidine-4,5,6-triamine
CID 22544359

Frequently Asked Questions

What is the IUPAC name of N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The IUPAC name of N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine (CID 13492273) is N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The canonical SMILES for N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is CCc1ccc(Nc2ncnc3[nH]c(C)c(C)c23)cc1.
What is the InChIKey of N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
The InChIKey is UMKKKGITXSYWJE-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4/c1-4-12-5-7-13(8-6-12)20-16-14-10(2)11(3)19-15(14)17-9-18-16/h5-9H,4H2,1-3H3,(H2,17,18,19,20).
What are the key properties of N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine?
N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine has a molecular weight of 266.35 g/mol, XLogP of 3.88, 3 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-ethylphenyl)-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 13492273), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).