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

C19H17BrN4 — CID 112877245

IUPACN-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)cc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17BrN4/c1-13-21-18(23-16-8-6-15(20)7-9-16)12-19(22-13)24-11-10-14-4-2-3-5-17(14)24/h2-9,12H,10-11H2,1H3,(H,21,22,23)
InChIKeySXBMOAWBEKWPCC-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.99
Rot. Bonds3

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

N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine (PubChem CID 112877245) has the molecular formula C19H17BrN4 and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
PubChem CID112877245
Molecular FormulaC19H17BrN4
Molecular Weight381.28 g/mol
Exact Mass380.06
IUPAC NameN-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
SMILESCc1nc(Nc2ccc(Br)cc2)cc(N2CCc3ccccc32)n1
InChIInChI=1S/C19H17BrN4/c1-13-21-18(23-16-8-6-15(20)7-9-16)12-19(22-13)24-11-10-14-4-2-3-5-17(14)24/h2-9,12H,10-11H2,1H3,(H,21,22,23)
InChIKeySXBMOAWBEKWPCC-UHFFFAOYSA-N
XLogP4.99
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.28
LogP ≤ 54.99
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-pyrrolidin-1-ylphenyl)pyrimidin-4-amine
CID 112877270
N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927693
4-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzoic acid
CID 113193280
3-[[6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877287
N-cycloheptyl-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112876028
4-N-(4-bromophenyl)-2-methyl-6-N-phenylpyrimidine-4,6-diamine
CID 112876895
N-[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]-5-methyl-1,2-oxazol-3-amine
CID 112877336
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112927774
2-[[6-(3,4-dihydro-2H-quinolin-1-yl)-2-methylpyrimidin-4-yl]amino]benzonitrile
CID 112877330
1-(2-methyl-6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112868870
6-(2,3-dihydroindol-1-yl)-N-[(2-fluorophenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872358

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
The IUPAC name of N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine (CID 112877245) is N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine.
What is the SMILES notation for N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
The canonical SMILES for N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine is Cc1nc(Nc2ccc(Br)cc2)cc(N2CCc3ccccc32)n1.
What is the InChIKey of N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
The InChIKey is SXBMOAWBEKWPCC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4/c1-13-21-18(23-16-8-6-15(20)7-9-16)12-19(22-13)24-11-10-14-4-2-3-5-17(14)24/h2-9,12H,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine?
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine has a molecular weight of 381.28 g/mol, XLogP of 4.99, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine is sourced from PubChem (CID 112877245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).