4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine

C18H17N5 — CID 110430714

IUPAC4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1nccn1-c1nc(-c2ccccc2)nc2[nH]c(C)cc12
InChIInChI=1S/C18H17N5/c1-3-15-19-9-10-23(15)18-14-11-12(2)20-17(14)21-16(22-18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyGHMXORLSUTVKPH-UHFFFAOYSA-N
MW303.37 g/mol
LogP3.68
Rot. Bonds3

About 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine

4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 110430714) has the molecular formula C18H17N5 and a molecular weight of 303.37 g/mol. Its IUPAC name is 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID110430714
Molecular FormulaC18H17N5
Molecular Weight303.37 g/mol
Exact Mass303.15
IUPAC Name4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1nccn1-c1nc(-c2ccccc2)nc2[nH]c(C)cc12
InChIInChI=1S/C18H17N5/c1-3-15-19-9-10-23(15)18-14-11-12(2)20-17(14)21-16(22-18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21,22)
InChIKeyGHMXORLSUTVKPH-UHFFFAOYSA-N
XLogP3.68
TPSA59.39 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500303.37
LogP ≤ 53.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-methyl-4-(1-methylimidazol-2-yl)sulfanyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 110430898
2-[4-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)piperazin-1-yl]ethanol
CID 110431089
N-(4-ethylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430982
N-(2-methoxyethyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430534
N-(3-methoxypropyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430658
N-(2,6-difluorophenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431076
2-[(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)amino]hexanoic acid
CID 110431099
(2S)-1-(6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-2-carboxamide;sulfane
CID 158883891
6-methyl-4-(2-methylimidazol-1-yl)-2-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 110430499
2-(2-ethylimidazol-1-yl)-3-methylpyrazine
CID 83066556
2-(3-chlorophenyl)-N,N-diethyl-6-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110430830
N-(5-chloro-2-methylphenyl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 110431209

Frequently Asked Questions

What is the IUPAC name of 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine (CID 110430714) is 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine is CCc1nccn1-c1nc(-c2ccccc2)nc2[nH]c(C)cc12.
What is the InChIKey of 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is GHMXORLSUTVKPH-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H17N5/c1-3-15-19-9-10-23(15)18-14-11-12(2)20-17(14)21-16(22-18)13-7-5-4-6-8-13/h4-11H,3H2,1-2H3,(H,20,21,22).
What are the key properties of 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine?
4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 303.37 g/mol, XLogP of 3.68, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-ethylimidazol-1-yl)-6-methyl-2-phenyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 110430714), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).