3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole

C16H25N3 — CID 133463983

IUPAC3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(C)c1nccc(N2CC(C)C3CCCCC32)n1
InChIInChI=1S/C16H25N3/c1-11(2)16-17-9-8-15(18-16)19-10-12(3)13-6-4-5-7-14(13)19/h8-9,11-14H,4-7,10H2,1-3H3
InChIKeyGIBXWWRUXRVFLS-UHFFFAOYSA-N
MW259.40 g/mol
LogP3.61
Rot. Bonds2

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

3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (PubChem CID 133463983) has the molecular formula C16H25N3 and a molecular weight of 259.40 g/mol. Its IUPAC name is 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.

Molecular Properties

Compound Name3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
PubChem CID133463983
Molecular FormulaC16H25N3
Molecular Weight259.40 g/mol
Exact Mass259.20
IUPAC Name3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
SMILESCC(C)c1nccc(N2CC(C)C3CCCCC32)n1
InChIInChI=1S/C16H25N3/c1-11(2)16-17-9-8-15(18-16)19-10-12(3)13-6-4-5-7-14(13)19/h8-9,11-14H,4-7,10H2,1-3H3
InChIKeyGIBXWWRUXRVFLS-UHFFFAOYSA-N
XLogP3.61
TPSA29.02 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500259.40
LogP ≤ 53.61
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

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

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Related Compounds

6-(3-methyl-2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)pyrido[2,3-b]pyrazine
CID 133463810
4-[(3S,4R)-3,4-dimethoxypyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136581186
2-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-2-yl]acetic acid
CID 138030149
4-[2-methyl-4-(4-methylphenyl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 166382778
(3R)-N-methyl-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-amine
CID 118720438
3-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 133463815
methyl (2S)-1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidine-2-carboxylate
CID 99857386
4-[3-(furan-2-yl)pyrrolidin-1-yl]-2-propan-2-ylpyrimidine
CID 136524880
2-methyl-1-[3-methyl-4-(2-propan-2-ylpyrimidin-4-yl)piperazin-1-yl]propan-2-ol
CID 133486500
4-[3-(5-methoxypyrimidin-2-yl)oxypiperidin-1-yl]-2-propan-2-ylpyrimidine
CID 171701040
3-methyl-5-[1-(2-propan-2-ylpyrimidin-4-yl)piperidin-4-yl]-1,2,4-oxadiazole
CID 133291332
N-methyl-N-[1-(2-propan-2-ylpyrimidin-4-yl)pyrrolidin-3-yl]acetamide
CID 155974234

Frequently Asked Questions

What is the IUPAC name of 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The IUPAC name of 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole (CID 133463983) is 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole.
What is the SMILES notation for 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The canonical SMILES for 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is CC(C)c1nccc(N2CC(C)C3CCCCC32)n1.
What is the InChIKey of 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
The InChIKey is GIBXWWRUXRVFLS-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H25N3/c1-11(2)16-17-9-8-15(18-16)19-10-12(3)13-6-4-5-7-14(13)19/h8-9,11-14H,4-7,10H2,1-3H3.
What are the key properties of 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole?
3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole has a molecular weight of 259.40 g/mol, XLogP of 3.61, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 3-methyl-1-(2-propan-2-ylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole is sourced from PubChem (CID 133463983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).