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

C17H22N4 — CID 80939492

IUPAC6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCc3ccccc32)nc(CC)n1
InChIInChI=1S/C17H22N4/c1-3-10-18-16-12-17(20-15(4-2)19-16)21-11-9-13-7-5-6-8-14(13)21/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19,20)
InChIKeyTYNNATWOWQRPRJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.56
Rot. Bonds5

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

6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine (PubChem CID 80939492) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
PubChem CID80939492
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine
SMILESCCCNc1cc(N2CCc3ccccc32)nc(CC)n1
InChIInChI=1S/C17H22N4/c1-3-10-18-16-12-17(20-15(4-2)19-16)21-11-9-13-7-5-6-8-14(13)21/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19,20)
InChIKeyTYNNATWOWQRPRJ-UHFFFAOYSA-N
XLogP3.56
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.56
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(6-fluoro-2,3-dihydroindol-1-yl)-4-N-propylpyrimidine-2,4-diamine
CID 103504467
6-(2,3-dihydroindol-1-yl)-2-propylpyrimidin-4-amine
CID 80945604
5-(2,3-dihydroindol-1-yl)-N-propyl-1,2,4-triazin-3-amine
CID 112938585
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872358
2-ethyl-6-(2-ethylpyrrolidin-1-yl)-N-propylpyrimidin-4-amine
CID 80933803
2-ethyl-6-N-propyl-4-N-(2-pyrrolidin-1-ylethyl)pyrimidine-4,6-diamine
CID 80934686
6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872815
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(4-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874295
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
6-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(3-methoxyphenyl)ethyl]-2-methylpyrimidin-4-amine
CID 112874212

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine (CID 80939492) is 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine is CCCNc1cc(N2CCc3ccccc32)nc(CC)n1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
The InChIKey is TYNNATWOWQRPRJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-10-18-16-12-17(20-15(4-2)19-16)21-11-9-13-7-5-6-8-14(13)21/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19,20).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-2-ethyl-N-propylpyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 3.56, 5 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)-2-ethyl-N-propylpyrimidin-4-amine is sourced from PubChem (CID 80939492), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).