1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole

C16H24ClN3 — CID 82751091

IUPAC1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCCc1nc(Cl)c(C)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C16H24ClN3/c1-3-6-14-18-15(17)11(2)16(19-14)20-10-9-12-7-4-5-8-13(12)20/h12-13H,3-10H2,1-2H3
InChIKeyHMSJGEDJIUMAFY-UHFFFAOYSA-N
MW293.84 g/mol
LogP4.16
Rot. Bonds3

About 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole

1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 82751091) has the molecular formula C16H24ClN3 and a molecular weight of 293.84 g/mol. Its IUPAC name is 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID82751091
Molecular FormulaC16H24ClN3
Molecular Weight293.84 g/mol
Exact Mass293.17
IUPAC Name1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCCCc1nc(Cl)c(C)c(N2CCC3CCCCC32)n1
InChIInChI=1S/C16H24ClN3/c1-3-6-14-18-15(17)11(2)16(19-14)20-10-9-12-7-4-5-8-13(12)20/h12-13H,3-10H2,1-2H3
InChIKeyHMSJGEDJIUMAFY-UHFFFAOYSA-N
XLogP4.16
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500293.84
LogP ≤ 54.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Analyze 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole with MolForge

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Related Compounds

1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2-methylazepane
CID 80978841
4-chloro-6-(2,4-dimethylpiperidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80971909
1-[4-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)piperazin-1-yl]ethanone
CID 80971021
4-chloro-6-(2,2-dimethylpyrrolidin-1-yl)-5-methyl-2-propylpyrimidine
CID 80972005
4-chloro-6-(3-cyclopropylpyrazol-1-yl)-5-methyl-2-propylpyrimidine
CID 80978781
6-(2-cyclopentylpyrrolidin-1-yl)-2-ethyl-N,5-dimethylpyrimidin-4-amine
CID 80984251
1-(6-chloro-5-propylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 63729949
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 80980277
4-chloro-6-cyclopentyloxy-5-methyl-2-propylpyrimidine
CID 80974080
6-chloro-N-cyclopentyl-5-methyl-2-propylpyrimidin-4-amine
CID 80970697
1-(6-chloro-5-ethylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750250
3-chloro-6-(2-cyclopentylpyrrolidin-1-yl)-4,5-dimethylpyridazine
CID 63271560

Frequently Asked Questions

What is the IUPAC name of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 82751091) is 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is CCCc1nc(Cl)c(C)c(N2CCC3CCCCC32)n1.
What is the InChIKey of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is HMSJGEDJIUMAFY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24ClN3/c1-3-6-14-18-15(17)11(2)16(19-14)20-10-9-12-7-4-5-8-13(12)20/h12-13H,3-10H2,1-2H3.
What are the key properties of 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 293.84 g/mol, XLogP of 4.16, 3 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(6-chloro-5-methyl-2-propylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 82751091), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).