1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole

C14H13Cl2N3 — CID 158203090

IUPAC1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole
SMILESCC1(C)CN(c2nc(Cl)ncc2Cl)c2ccccc21
InChIInChI=1S/C14H13Cl2N3/c1-14(2)8-19(11-6-4-3-5-9(11)14)12-10(15)7-17-13(16)18-12/h3-7H,8H2,1-2H3
InChIKeyGBEDNQAXDOSYMB-UHFFFAOYSA-N
MW294.19 g/mol
LogP4.21
Rot. Bonds1

About 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole

1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole (PubChem CID 158203090) has the molecular formula C14H13Cl2N3 and a molecular weight of 294.19 g/mol. Its IUPAC name is 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole.

Molecular Properties

Compound Name1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole
PubChem CID158203090
Molecular FormulaC14H13Cl2N3
Molecular Weight294.19 g/mol
Exact Mass293.05
IUPAC Name1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole
SMILESCC1(C)CN(c2nc(Cl)ncc2Cl)c2ccccc21
InChIInChI=1S/C14H13Cl2N3/c1-14(2)8-19(11-6-4-3-5-9(11)14)12-10(15)7-17-13(16)18-12/h3-7H,8H2,1-2H3
InChIKeyGBEDNQAXDOSYMB-UHFFFAOYSA-N
XLogP4.21
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.19
LogP ≤ 54.21
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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Related Compounds

2-(2,5-dichloropyrimidin-4-yl)-1,3-dihydroisoindole
CID 79632513
3,3-dimethyl-1-(4-methyl-1,3,5-triazin-2-yl)-2H-indole
CID 166973242
3-(2,5-dichloropyrimidin-4-yl)-1,2,4,5-tetrahydro-3-benzazepine
CID 79631998
2,5-dichloro-4-(4-methyl-2-phenylpiperazin-1-yl)pyrimidine
CID 79639316
2,5-dichloro-4-(3,3-dimethylpiperidin-1-yl)pyrimidine
CID 79632418
4-(2,5-dichloropyrimidin-4-yl)-2,2-dimethylmorpholine
CID 79632898
2-[[2-(3,3-dimethyl-2H-indol-1-yl)-3-pyridinyl]methyl]-5-methyl-1,3-benzothiazole
CID 159440048
5-(2,5-dichloropyrimidin-4-yl)-4-methyl-6,7-dihydro-4H-thieno[3,2-c]pyridine
CID 79633122
1-(2,5-dichloropyrimidin-4-yl)-4,4-dimethylazepane
CID 79633042
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
(6S)-7-(2,5-dichloropyrimidin-4-yl)-6-methyl-4-oxa-7-azaspiro[2.5]octane
CID 172608426
1-(2,5-dichloropyrimidin-4-yl)indazol-3-amine
CID 130205746

Frequently Asked Questions

What is the IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole?
The IUPAC name of 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole (CID 158203090) is 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole.
What is the SMILES notation for 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole?
The canonical SMILES for 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole is CC1(C)CN(c2nc(Cl)ncc2Cl)c2ccccc21.
What is the InChIKey of 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole?
The InChIKey is GBEDNQAXDOSYMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl2N3/c1-14(2)8-19(11-6-4-3-5-9(11)14)12-10(15)7-17-13(16)18-12/h3-7H,8H2,1-2H3.
What are the key properties of 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole?
1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole has a molecular weight of 294.19 g/mol, XLogP of 4.21, 1 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(2,5-dichloropyrimidin-4-yl)-3,3-dimethyl-2H-indole is sourced from PubChem (CID 158203090), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).