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

C17H22N4 — CID 112908361

IUPACN-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCCCCNc1nc(C)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-3-4-10-18-17-19-13(2)12-16(20-17)21-11-9-14-7-5-6-8-15(14)21/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19,20)
InChIKeyRJYHFPCGILEGBM-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.69
Rot. Bonds5

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

N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112908361) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112908361
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCCCCNc1nc(C)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-3-4-10-18-17-19-13(2)12-16(20-17)21-11-9-14-7-5-6-8-15(14)21/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19,20)
InChIKeyRJYHFPCGILEGBM-UHFFFAOYSA-N
XLogP3.69
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 ≤ 53.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112909128
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-methyl-N-pentylpyrimidin-2-amine
CID 112920323
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670
N-[2-(4-chlorophenyl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112922676
4-(3,4-dihydro-2H-quinolin-1-yl)-N-[2-(2-methoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112921049
N-[2-(cyclohexen-1-yl)ethyl]-4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-amine
CID 112911256
N-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927693
2,3-dihydroindol-1-yl-[6-methyl-2-(pentylamino)pyrimidin-4-yl]methanone
CID 109333320

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (CID 112908361) is N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is CCCCNc1nc(C)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is RJYHFPCGILEGBM-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-4-10-18-17-19-13(2)12-16(20-17)21-11-9-14-7-5-6-8-15(14)21/h5-8,12H,3-4,9-11H2,1-2H3,(H,18,19,20).
What are the key properties of N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.69, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112908361), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).