4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

C15H17N3 — CID 123284474

IUPAC4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCC1=CC=C(c2ncnc3[nH]ccc23)CC1C
InChIInChI=1S/C15H17N3/c1-3-11-4-5-12(8-10(11)2)14-13-6-7-16-15(13)18-9-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyBDDZHSCQDGSRRS-UHFFFAOYSA-N
MW239.32 g/mol
LogP3.72
Rot. Bonds2

About 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine

4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 123284474) has the molecular formula C15H17N3 and a molecular weight of 239.32 g/mol. Its IUPAC name is 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID123284474
Molecular FormulaC15H17N3
Molecular Weight239.32 g/mol
Exact Mass239.14
IUPAC Name4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCC1=CC=C(c2ncnc3[nH]ccc23)CC1C
InChIInChI=1S/C15H17N3/c1-3-11-4-5-12(8-10(11)2)14-13-6-7-16-15(13)18-9-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18)
InChIKeyBDDZHSCQDGSRRS-UHFFFAOYSA-N
XLogP3.72
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.32
LogP ≤ 53.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

Analyze 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

4-(1,3-dimethyl-3,6-dihydro-2H-pyridin-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11506874
4-[1-(3-ethylazetidin-3-yl)pyrazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 130252560
4-(fluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 142574981
4-[1-(cyclopropylmethyl)-5-methyltriazol-4-yl]-7H-pyrrolo[2,3-d]pyrimidine
CID 142744353
(2R)-2-(7H-pyrrolo[2,3-d]pyrimidin-4-ylamino)butan-1-ol
CID 175667937
N-methyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine;hydrochloride
CID 175758651
4-thiophen-3-yl-7H-pyrrolo[2,3-d]pyrimidine
CID 24963935
(3S,4S)-4-propyl-1-(7H-pyrrolo[2,3-d]pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 70787983
4-[(5S)-5-ethylcyclononyl]-7H-pyrrolo[2,3-d]pyrimidine
CID 166898093
N-[(3R,5S)-5-methylpiperidin-3-yl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 118115879
4-(2,3,3a,6,7,7a-hexahydro-1H-inden-4-yl)-7H-pyrrolo[2,3-d]pyrimidine
CID 11665884
4-(2-fluoro-5-methylphenyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 56723622

Frequently Asked Questions

What is the IUPAC name of 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine (CID 123284474) is 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is CCC1=CC=C(c2ncnc3[nH]ccc23)CC1C.
What is the InChIKey of 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is BDDZHSCQDGSRRS-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17N3/c1-3-11-4-5-12(8-10(11)2)14-13-6-7-16-15(13)18-9-17-14/h4-7,9-10H,3,8H2,1-2H3,(H,16,17,18).
What are the key properties of 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine?
4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 239.32 g/mol, XLogP of 3.72, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-ethyl-5-methylcyclohexa-1,3-dien-1-yl)-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 123284474), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).