6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine

C15H24N4 — CID 82753042

IUPAC6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCC2CCCCC21
InChIInChI=1S/C15H24N4/c1-3-12-14(16-2)17-10-18-15(12)19-9-8-11-6-4-5-7-13(11)19/h10-11,13H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyRLFANTITOZPXNC-UHFFFAOYSA-N
MW260.38 g/mol
LogP2.85
Rot. Bonds3

About 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine

6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 82753042) has the molecular formula C15H24N4 and a molecular weight of 260.38 g/mol. Its IUPAC name is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID82753042
Molecular FormulaC15H24N4
Molecular Weight260.38 g/mol
Exact Mass260.20
IUPAC Name6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCC2CCCCC21
InChIInChI=1S/C15H24N4/c1-3-12-14(16-2)17-10-18-15(12)19-9-8-11-6-4-5-7-13(11)19/h10-11,13H,3-9H2,1-2H3,(H,16,17,18)
InChIKeyRLFANTITOZPXNC-UHFFFAOYSA-N
XLogP2.85
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.38
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Analyze 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine with MolForge

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Related Compounds

1-(6-chloro-5-ethylpyrimidin-4-yl)-2,3,3a,4,5,6,7,7a-octahydroindole
CID 82750250
6-(2,3,4a,5,6,7,8,8a-octahydrobenzo[b][1,4]oxazin-4-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80811776
6-(2,3,4,4a,5,6,7,7a-octahydrocyclopenta[b]pyridin-1-yl)-N-ethyl-5-propylpyrimidin-4-amine
CID 80828858
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
N,5-diethyl-6-(2-methylpiperidin-1-yl)pyrimidin-4-amine
CID 80767407
5-ethyl-6-(4-ethylazepan-1-yl)-N-methylpyrimidin-4-amine
CID 80836987
5-ethyl-N-methyl-6-(3-methylmorpholin-4-yl)pyrimidin-4-amine
CID 80780914
6-(1,3,4,6,7,8,9,9a-octahydropyrido[1,2-a]pyrazin-2-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80855287
6-(2-cyclopentylpyrrolidin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80792872
1-(6-chloro-5-propylpyrimidin-4-yl)-3,4,4a,5,6,7,8,8a-octahydro-2H-quinoline
CID 63729949
6-(2-ethylpyrrolidin-1-yl)-N-methyl-5-propylpyrimidin-4-amine
CID 80791469
4-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-6-ethoxypyrimidin-5-amine
CID 82747186

Frequently Asked Questions

What is the IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine (CID 82753042) is 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1N1CCC2CCCCC21.
What is the InChIKey of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is RLFANTITOZPXNC-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H24N4/c1-3-12-14(16-2)17-10-18-15(12)19-9-8-11-6-4-5-7-13(11)19/h10-11,13H,3-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 260.38 g/mol, XLogP of 2.85, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3,3a,4,5,6,7,7a-octahydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 82753042), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).