6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine

C15H18N4 — CID 80767441

IUPAC6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCc2ccccc21
InChIInChI=1S/C15H18N4/c1-3-12-14(16-2)17-10-18-15(12)19-9-8-11-6-4-5-7-13(11)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyWECRGDUOWMPOFT-UHFFFAOYSA-N
MW254.34 g/mol
LogP2.77
Rot. Bonds3

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

6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine (PubChem CID 80767441) has the molecular formula C15H18N4 and a molecular weight of 254.34 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
PubChem CID80767441
Molecular FormulaC15H18N4
Molecular Weight254.34 g/mol
Exact Mass254.15
IUPAC Name6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine
SMILESCCc1c(NC)ncnc1N1CCc2ccccc21
InChIInChI=1S/C15H18N4/c1-3-12-14(16-2)17-10-18-15(12)19-9-8-11-6-4-5-7-13(11)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18)
InChIKeyWECRGDUOWMPOFT-UHFFFAOYSA-N
XLogP2.77
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.34
LogP ≤ 52.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydroindol-1-yl)-N,5-diethylpyrimidin-4-amine
CID 80767440
5-ethyl-N-methyl-6-(4-methyl-2,3-dihydroquinoxalin-1-yl)pyrimidin-4-amine
CID 80819949
1-(6-chloro-5-ethylpyrimidin-4-yl)-3,4-dihydro-2H-quinoline
CID 63735943
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241
5-ethyl-N-methyl-6-piperidin-1-ylpyrimidin-4-amine
CID 80763765
6-(3,4-dihydro-1H-isoquinolin-2-yl)-4-N-methylpyrimidine-4,5-diamine
CID 19135043
6-(6,7-dihydro-4H-thieno[3,2-c]pyridin-5-yl)-5-ethyl-N-methylpyrimidin-4-amine
CID 80764105
6-(2,3-dihydroindol-1-yl)-4-N-(2-phenylethyl)pyrimidine-4,5-diamine
CID 22543176
6-(3,4-dihydro-2H-quinolin-1-yl)-5-methyl-N-propylpyrimidin-4-amine
CID 80749716
4-N-butan-2-yl-6-(3,4-dihydro-2H-quinolin-1-yl)pyrimidine-4,5-diamine
CID 19147403
4-(2,3-dihydroindol-1-yl)-6-(2,2-diphenylhydrazinyl)pyrimidin-5-amine
CID 22543232
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine (CID 80767441) is 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine is CCc1c(NC)ncnc1N1CCc2ccccc21.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
The InChIKey is WECRGDUOWMPOFT-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H18N4/c1-3-12-14(16-2)17-10-18-15(12)19-9-8-11-6-4-5-7-13(11)19/h4-7,10H,3,8-9H2,1-2H3,(H,16,17,18).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine has a molecular weight of 254.34 g/mol, XLogP of 2.77, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-5-ethyl-N-methylpyrimidin-4-amine is sourced from PubChem (CID 80767441), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).