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

C17H22N4 — CID 112909128

IUPACN-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC(C)Nc1nc(C)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-4-12(2)18-17-19-13(3)11-16(20-17)21-10-9-14-7-5-6-8-15(14)21/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyVJHOAOQJUXLBNJ-UHFFFAOYSA-N
MW282.39 g/mol
LogP3.69
Rot. Bonds4

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

N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112909128) has the molecular formula C17H22N4 and a molecular weight of 282.39 g/mol. Its IUPAC name is N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112909128
Molecular FormulaC17H22N4
Molecular Weight282.39 g/mol
Exact Mass282.18
IUPAC NameN-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCCC(C)Nc1nc(C)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C17H22N4/c1-4-12(2)18-17-19-13(3)11-16(20-17)21-10-9-14-7-5-6-8-15(14)21/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,19,20)
InChIKeyVJHOAOQJUXLBNJ-UHFFFAOYSA-N
XLogP3.69
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
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

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Related Compounds

4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670
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
N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927736
N-[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]-N',N'-dimethylethane-1,2-diamine
CID 112913021
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927730
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-ethoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927865
N-benzyl-4-(2,3-dihydroindol-1-yl)-N-ethyl-6-methylpyrimidin-2-amine
CID 112919023
4-(2,3-dihydroindol-1-yl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-6-methylpyrimidin-2-amine
CID 112922578
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864

Frequently Asked Questions

What is the IUPAC name of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (CID 112909128) is N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is CCC(C)Nc1nc(C)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is VJHOAOQJUXLBNJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H22N4/c1-4-12(2)18-17-19-13(3)11-16(20-17)21-10-9-14-7-5-6-8-15(14)21/h5-8,11-12H,4,9-10H2,1-3H3,(H,18,19,20).
What are the key properties of N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine has a molecular weight of 282.39 g/mol, XLogP of 3.69, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112909128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).