[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

C17H22N4 — CID 62299989

IUPAC[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(N2c3ccccc3CC2C)c(CN)n1
InChIInChI=1S/C17H22N4/c1-11(2)17-19-10-16(14(9-18)20-17)21-12(3)8-13-6-4-5-7-15(13)21/h4-7,10-12H,8-9,18H2,1-3H3
InChIKeyMGKPGYAHEFJVJF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.14
Rot. Bonds3

About [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine

[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (PubChem CID 62299989) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.

Molecular Properties

Compound Name[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
PubChem CID62299989
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC Name[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
SMILESCC(C)c1ncc(N2c3ccccc3CC2C)c(CN)n1
InChIInChI=1S/C17H22N4/c1-11(2)17-19-10-16(14(9-18)20-17)21-12(3)8-13-6-4-5-7-15(13)21/h4-7,10-12H,8-9,18H2,1-3H3
InChIKeyMGKPGYAHEFJVJF-UHFFFAOYSA-N
XLogP3.14
TPSA55.04 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.14
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[5-(4-methylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62298929
[2,3-difluoro-4-(2-methyl-2,3-dihydroindol-1-yl)phenyl]methanamine
CID 107932681
[5-(4-ethylpiperazin-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62300497
4-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 79910439
1-[2-(2-methyl-2,3-dihydroindol-1-yl)phenyl]ethanol
CID 43510148
1-(2-chloro-5-methylpyrimidin-4-yl)-2-methyl-2,3-dihydroindole
CID 79075954
2-methyl-3-(2-methyl-2,3-dihydroindol-1-yl)propan-1-amine
CID 43367603
[5-(4-chloropyrazol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine
CID 62295234
4-bromo-2-(2-methyl-2,3-dihydroindol-1-yl)-1,3-thiazole
CID 79398878
5-(2-methyl-2,3-dihydroindol-1-yl)pyridine-2-carbothioamide
CID 115488133
1-[5-(chloromethyl)pyrimidin-4-yl]-2-methyl-2,3-dihydroindole
CID 114215376
1-methyl-5-(2-methyl-2,3-dihydroindol-1-yl)-3-propan-2-ylpyrazol-4-amine
CID 66017197

Frequently Asked Questions

What is the IUPAC name of [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The IUPAC name of [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine (CID 62299989) is [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine.
What is the SMILES notation for [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The canonical SMILES for [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is CC(C)c1ncc(N2c3ccccc3CC2C)c(CN)n1.
What is the InChIKey of [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
The InChIKey is MGKPGYAHEFJVJF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-11(2)17-19-10-16(14(9-18)20-17)21-12(3)8-13-6-4-5-7-15(13)21/h4-7,10-12H,8-9,18H2,1-3H3.
What are the key properties of [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine?
[5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine has a molecular weight of 282.39 g/mol, XLogP of 3.14, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for [5-(2-methyl-2,3-dihydroindol-1-yl)-2-propan-2-ylpyrimidin-4-yl]methanamine is sourced from PubChem (CID 62299989), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).