4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine

C17H18ClN3 — CID 10780536

IUPAC4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cc(C)c(-n2cc(C)c3c(Cl)nc(C)nc32)c(C)c1
InChIInChI=1S/C17H18ClN3/c1-9-6-10(2)15(11(3)7-9)21-8-12(4)14-16(18)19-13(5)20-17(14)21/h6-8H,1-5H3
InChIKeyCGLDYVRQHDEHPG-UHFFFAOYSA-N
MW299.81 g/mol
LogP4.62
Rot. Bonds1

About 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine

4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine (PubChem CID 10780536) has the molecular formula C17H18ClN3 and a molecular weight of 299.81 g/mol. Its IUPAC name is 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine.

Molecular Properties

Compound Name4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
PubChem CID10780536
Molecular FormulaC17H18ClN3
Molecular Weight299.81 g/mol
Exact Mass299.12
IUPAC Name4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine
SMILESCc1cc(C)c(-n2cc(C)c3c(Cl)nc(C)nc32)c(C)c1
InChIInChI=1S/C17H18ClN3/c1-9-6-10(2)15(11(3)7-9)21-8-12(4)14-16(18)19-13(5)20-17(14)21/h6-8H,1-5H3
InChIKeyCGLDYVRQHDEHPG-UHFFFAOYSA-N
XLogP4.62
TPSA30.71 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.81
LogP ≤ 54.62
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

Antalarmin
CID 177990
7-benzyl-4-chloro-5,6-dimethyl-7H-pyrrolo[2,3-d]pyrimidine
CID 1475476
CP-154526
CID 5311055
4-Chloro-5,7-diphenyl-7H-pyrrolo[2,3-d]pyrimidine
CID 2049536
6-(4-chlorobenzyl)-7-(3,3-dimethylbutyl)-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 9895628
6-(4-chlorobenzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444205
(4-Fluoro-butyl)-propyl-[2,5,6-trimethyl-7-(2,4,6-trimethyl-phenyl)-7H-pyrrolo[2,3-d]pyrimidin-4-yl]-amine
CID 10251024
6-(4-(dimethylamino)benzyl)-7-neopentyl-7H-pyrrolo[2,3-d]pyrimidine-2-carbonitrile
CID 44444216
4-(2-Heptan-4-yl-10-methyl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-7-yl)-3-methylbenzonitrile
CID 9865060
3-Methyl-4-(10-methyl-2-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-7-yl)benzonitrile
CID 9925019
3-Chloro-4-(10-methyl-2-pentan-3-yl-2,7,9,11-tetrazatricyclo[6.3.1.04,12]dodeca-1(12),3,8,10-tetraen-7-yl)benzonitrile
CID 10134352
CID 10204603
CID 10204603

Frequently Asked Questions

What is the IUPAC name of 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
The IUPAC name of 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine (CID 10780536) is 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine.
What is the SMILES notation for 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
The canonical SMILES for 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine is Cc1cc(C)c(-n2cc(C)c3c(Cl)nc(C)nc32)c(C)c1.
What is the InChIKey of 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
The InChIKey is CGLDYVRQHDEHPG-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H18ClN3/c1-9-6-10(2)15(11(3)7-9)21-8-12(4)14-16(18)19-13(5)20-17(14)21/h6-8H,1-5H3.
What are the key properties of 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine?
4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine has a molecular weight of 299.81 g/mol, XLogP of 4.62, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-2,5-dimethyl-7-(2,4,6-trimethylphenyl)pyrrolo[2,3-d]pyrimidine is sourced from PubChem (CID 10780536), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).