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

C19H17BrN4 — CID 112867002

IUPACN-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCC1Cc2ccccc2N1c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C19H17BrN4/c1-13-9-14-5-2-3-8-17(14)24(13)19-11-18(21-12-22-19)23-16-7-4-6-15(20)10-16/h2-8,10-13H,9H2,1H3,(H,21,22,23)
InChIKeyUKBSFDDFJLHGOU-UHFFFAOYSA-N
MW381.28 g/mol
LogP5.07
Rot. Bonds3

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

N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112867002) has the molecular formula C19H17BrN4 and a molecular weight of 381.28 g/mol. Its IUPAC name is N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112867002
Molecular FormulaC19H17BrN4
Molecular Weight381.28 g/mol
Exact Mass380.06
IUPAC NameN-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCC1Cc2ccccc2N1c1cc(Nc2cccc(Br)c2)ncn1
InChIInChI=1S/C19H17BrN4/c1-13-9-14-5-2-3-8-17(14)24(13)19-11-18(21-12-22-19)23-16-7-4-6-15(20)10-16/h2-8,10-13H,9H2,1H3,(H,21,22,23)
InChIKeyUKBSFDDFJLHGOU-UHFFFAOYSA-N
XLogP5.07
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500381.28
LogP ≤ 55.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]hydrazine
CID 80916971
2-methyl-1-(6-piperidin-1-ylpyrimidin-4-yl)-2,3-dihydroindole
CID 112856161
N-ethyl-6-(2-methyl-3,4-dihydro-2H-quinolin-1-yl)pyrimidin-4-amine
CID 80756943
1-[4-[6-(3-bromoanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858514
N-(3-bromophenyl)-6-chloropyrimidin-4-amine
CID 61279992
1-[6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]-3,4-dihydro-2H-quinoline
CID 112865154
N-cyclopropyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109339394
4-N-(3-bromophenyl)pyrimidine-4,6-diamine
CID 80760494
N-(3-bromophenyl)-6-hydrazinylpyrimidin-4-amine
CID 80928582
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929781
N-(3-bromophenyl)-6-(1,4-dioxa-8-azaspiro[4.5]decan-8-yl)pyrimidin-4-amine
CID 112862737
3-[[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194544

Frequently Asked Questions

What is the IUPAC name of N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112867002) is N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is CC1Cc2ccccc2N1c1cc(Nc2cccc(Br)c2)ncn1.
What is the InChIKey of N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is UKBSFDDFJLHGOU-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H17BrN4/c1-13-9-14-5-2-3-8-17(14)24(13)19-11-18(21-12-22-19)23-16-7-4-6-15(20)10-16/h2-8,10-13H,9H2,1H3,(H,21,22,23).
What are the key properties of N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 381.28 g/mol, XLogP of 5.07, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3-bromophenyl)-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112867002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).