4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine

C18H24N4 — CID 112925270

IUPAC4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(NCCC(C)C)n1
InChIInChI=1S/C18H24N4/c1-13(2)8-10-19-18-20-14(3)12-17(21-18)22-11-9-15-6-4-5-7-16(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyWDMXMDJZKRANTQ-UHFFFAOYSA-N
MW296.42 g/mol
LogP3.94
Rot. Bonds5

About 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine

4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine (PubChem CID 112925270) has the molecular formula C18H24N4 and a molecular weight of 296.42 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
PubChem CID112925270
Molecular FormulaC18H24N4
Molecular Weight296.42 g/mol
Exact Mass296.20
IUPAC Name4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(NCCC(C)C)n1
InChIInChI=1S/C18H24N4/c1-13(2)8-10-19-18-20-14(3)12-17(21-18)22-11-9-15-6-4-5-7-16(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21)
InChIKeyWDMXMDJZKRANTQ-UHFFFAOYSA-N
XLogP3.94
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.42
LogP ≤ 53.94
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
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
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(3-methylbutyl)-1,2,4-triazin-3-amine
CID 112959687
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-methyl-N-(3-methylbutyl)-6-(4-methylpiperazin-1-yl)pyrimidin-2-amine
CID 112913833
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

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine (CID 112925270) is 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine is Cc1cc(N2CCc3ccccc32)nc(NCCC(C)C)n1.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
The InChIKey is WDMXMDJZKRANTQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4/c1-13(2)8-10-19-18-20-14(3)12-17(21-18)22-11-9-15-6-4-5-7-16(15)22/h4-7,12-13H,8-11H2,1-3H3,(H,19,20,21).
What are the key properties of 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine?
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine has a molecular weight of 296.42 g/mol, XLogP of 3.94, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine is sourced from PubChem (CID 112925270), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).