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

C19H17BrN4 — CID 112927693

IUPACN-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C19H17BrN4/c1-13-12-18(24-11-10-14-4-2-3-5-17(14)24)23-19(21-13)22-16-8-6-15(20)7-9-16/h2-9,12H,10-11H2,1H3,(H,21,22,23)
InChIKeyWQNDRWCJUSKXGG-UHFFFAOYSA-N
MW381.28 g/mol
LogP4.99
Rot. Bonds3

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

N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (PubChem CID 112927693) has the molecular formula C19H17BrN4 and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.

Molecular Properties

Compound NameN-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
PubChem CID112927693
Molecular FormulaC19H17BrN4
Molecular Weight381.28 g/mol
Exact Mass380.06
IUPAC NameN-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
SMILESCc1cc(N2CCc3ccccc32)nc(Nc2ccc(Br)cc2)n1
InChIInChI=1S/C19H17BrN4/c1-13-12-18(24-11-10-14-4-2-3-5-17(14)24)23-19(21-13)22-16-8-6-15(20)7-9-16/h2-9,12H,10-11H2,1H3,(H,21,22,23)
InChIKeyWQNDRWCJUSKXGG-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

N-(3,4-dichlorophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927736
N-(4-bromophenyl)-6-(2,3-dihydroindol-1-yl)-2-methylpyrimidin-4-amine
CID 112877245
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112927730
4-(2,3-dihydroindol-1-yl)-N-(2,6-dimethylphenyl)-6-methylpyrimidin-2-amine
CID 112927670
4-(3,4-dihydro-2H-quinolin-1-yl)-N-(4-methoxyphenyl)-6-methylpyrimidin-2-amine
CID 112927864
4-[[4-(3,4-dihydro-2H-quinolin-1-yl)-6-methylpyrimidin-2-yl]amino]benzonitrile
CID 112927898
N-butan-2-yl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112909128
N-butyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112908361
N-cycloheptyl-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine
CID 112924966
4-(2,3-dihydroindol-1-yl)-6-methyl-N-(3-methylbutyl)pyrimidin-2-amine
CID 112925270
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
4-(2,3-dihydroindol-1-yl)-N-(1,1-dioxothiolan-3-yl)-6-methylpyrimidin-2-amine
CID 112921828

Frequently Asked Questions

What is the IUPAC name of N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The IUPAC name of N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine (CID 112927693) is N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine.
What is the SMILES notation for N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The canonical SMILES for N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is Cc1cc(N2CCc3ccccc32)nc(Nc2ccc(Br)cc2)n1.
What is the InChIKey of N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
The InChIKey is WQNDRWCJUSKXGG-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4/c1-13-12-18(24-11-10-14-4-2-3-5-17(14)24)23-19(21-13)22-16-8-6-15(20)7-9-16/h2-9,12H,10-11H2,1H3,(H,21,22,23).
What are the key properties of N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine?
N-(4-bromophenyl)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-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)-4-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-2-amine is sourced from PubChem (CID 112927693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).