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

C17H22N4 — CID 112900683

IUPACN-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
SMILESCCCCN(C)c1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-3-4-12-20(2)17-18-11-9-16(19-17)21-13-10-14-7-5-6-8-15(14)21/h5-9,11H,3-4,10,12-13H2,1-2H3
InChIKeyLNFUXIXKERILKF-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.41
Rot. Bonds5

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

N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine (PubChem CID 112900683) 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)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
PubChem CID112900683
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine
SMILESCCCCN(C)c1nccc(N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-3-4-12-20(2)17-18-11-9-16(19-17)21-13-10-14-7-5-6-8-15(14)21/h5-9,11H,3-4,10,12-13H2,1-2H3
InChIKeyLNFUXIXKERILKF-UHFFFAOYSA-N
XLogP3.41
TPSA32.26 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 53.41
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

N-butyl-2-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-4-amine
CID 112900573
N-butyl-5-(3,4-dihydro-2H-quinolin-1-yl)-N-methyl-1,2,4-triazin-3-amine
CID 112960153
4-(2,3-dihydroindol-1-yl)-N-ethyl-N-(3-methylphenyl)pyrimidin-2-amine
CID 112902262
N-butyl-6-(3,4-dihydro-2H-quinolin-1-yl)-N,2-dimethylpyrimidin-4-amine
CID 112876355
1-(2-chloropyrimidin-4-yl)-2,3-dihydroindole
CID 22731926
1-(2-methylsulfanylpyrimidin-4-yl)-2,3-dihydroindole
CID 59743394
4-(2,3-dihydroindol-1-yl)-N,6-dimethyl-N-(2-pyridin-4-ylethyl)pyrimidin-2-amine
CID 112921603
4-(azepan-1-yl)-N-methyl-N-octylpyrimidin-2-amine
CID 66904228
1-[2-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-2,3-dihydroindole
CID 112888146
1-(2-pyrrolidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112884067
4-(2,3-dihydroindol-1-yl)-N-(2-methylpropyl)pyrimidin-2-amine
CID 112883419
N-[4-(3,4-dihydro-2H-quinolin-1-yl)pyrimidin-2-yl]-N',N'-dimethylpropane-1,3-diamine
CID 112887804

Frequently Asked Questions

What is the IUPAC name of N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine (CID 112900683) is N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine is CCCCN(C)c1nccc(N2CCc3ccccc32)n1.
What is the InChIKey of N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine?
The InChIKey is LNFUXIXKERILKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-3-4-12-20(2)17-18-11-9-16(19-17)21-13-10-14-7-5-6-8-15(14)21/h5-9,11H,3-4,10,12-13H2,1-2H3.
What are the key properties of N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine?
N-butyl-4-(2,3-dihydroindol-1-yl)-N-methylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.41, 5 rotatable bonds, 0 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)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 112900683), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).