6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine

C15H15N3 — CID 143082694

IUPAC6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1ccc(-c2cc3c(C)ncnc3[nH]2)cc1
InChIInChI=1S/C15H15N3/c1-3-11-4-6-12(7-5-11)14-8-13-10(2)16-9-17-15(13)18-14/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyMMJZVIAXMIBCMA-UHFFFAOYSA-N
MW237.31 g/mol
LogP3.50
Rot. Bonds2

About 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine

6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine (PubChem CID 143082694) has the molecular formula C15H15N3 and a molecular weight of 237.31 g/mol. Its IUPAC name is 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
PubChem CID143082694
Molecular FormulaC15H15N3
Molecular Weight237.31 g/mol
Exact Mass237.13
IUPAC Name6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine
SMILESCCc1ccc(-c2cc3c(C)ncnc3[nH]2)cc1
InChIInChI=1S/C15H15N3/c1-3-11-4-6-12(7-5-11)14-8-13-10(2)16-9-17-15(13)18-14/h4-9H,3H2,1-2H3,(H,16,17,18)
InChIKeyMMJZVIAXMIBCMA-UHFFFAOYSA-N
XLogP3.50
TPSA41.57 Ų
H-Bond Donors1
H-Bond Acceptors2
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500237.31
LogP ≤ 53.50
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 102

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Related Compounds

ethane;2-(4-methylphenyl)-N-[4-(4-methyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]acetamide
CID 164539171
[4-(4-benzyl-7H-pyrrolo[2,3-d]pyrimidin-6-yl)phenyl]methanol
CID 171513203
4-[4-[(4-fluorophenyl)methylamino]-7H-pyrrolo[2,3-d]pyrimidin-6-yl]phenol
CID 56934984
6-[4-[(3,5-dimethylpiperazin-1-yl)methyl]phenyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69313848
6-[4-(methylaminomethyl)phenyl]-N-[(1R)-1-phenylethyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10155284
6-[4-[(4-ethylpiperazin-1-yl)methyl]phenyl]-N-[(3-methylphenyl)methyl]-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 10297042
N-[4-[6-(4-fluorophenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]phenyl]ethanesulfonamide
CID 90115007
N-methyl-4-[4-(methylamino)-7H-pyrrolo[2,3-d]pyrimidin-6-yl]benzamide
CID 11380496
6-[4-(chloromethyl)phenyl]-N-(2-methoxy-4-pyridinyl)-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 69182275
N-ethyl-6-[4-[(4-methylpiperazin-1-yl)methyl]phenyl]-N-propyl-7H-pyrrolo[2,3-d]pyrimidin-4-amine
CID 11223091
5-(4-ethylphenyl)-2-methyl-1H-pyrrole-3-carbonitrile
CID 59930384
4-methyl-6-(trifluoromethyl)-7H-pyrrolo[2,3-d]pyrimidine
CID 118900359

Frequently Asked Questions

What is the IUPAC name of 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine (CID 143082694) is 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine is CCc1ccc(-c2cc3c(C)ncnc3[nH]2)cc1.
What is the InChIKey of 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
The InChIKey is MMJZVIAXMIBCMA-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H15N3/c1-3-11-4-6-12(7-5-11)14-8-13-10(2)16-9-17-15(13)18-14/h4-9H,3H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine?
6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine has a molecular weight of 237.31 g/mol, XLogP of 3.50, 2 rotatable bonds, 1 hydrogen bond donors, and 2 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(4-ethylphenyl)-4-methyl-7H-pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 143082694), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).