N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

C22H24N4 — CID 112928303

IUPACN-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(C)nc(N3c4ccccc4CC3C)n2)c1
InChIInChI=1S/C22H24N4/c1-14-9-15(2)11-19(10-14)24-21-12-16(3)23-22(25-21)26-17(4)13-18-7-5-6-8-20(18)26/h5-12,17H,13H2,1-4H3,(H,23,24,25)
InChIKeyWJCHBFGKHIRUAF-UHFFFAOYSA-N
MW344.46 g/mol
LogP5.23
Rot. Bonds3

About N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine

N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112928303) has the molecular formula C22H24N4 and a molecular weight of 344.46 g/mol. Its IUPAC name is N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112928303
Molecular FormulaC22H24N4
Molecular Weight344.46 g/mol
Exact Mass344.20
IUPAC NameN-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCc1cc(C)cc(Nc2cc(C)nc(N3c4ccccc4CC3C)n2)c1
InChIInChI=1S/C22H24N4/c1-14-9-15(2)11-19(10-14)24-21-12-16(3)23-22(25-21)26-17(4)13-18-7-5-6-8-20(18)26/h5-12,17H,13H2,1-4H3,(H,23,24,25)
InChIKeyWJCHBFGKHIRUAF-UHFFFAOYSA-N
XLogP5.23
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500344.46
LogP ≤ 55.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
4-N,4-N-dimethyl-1-N-[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]benzene-1,4-diamine
CID 112931696
3-[[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194544
N-(3-methoxypropyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112911855
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431
2-(2-methyl-2,3-dihydroindol-1-yl)-N-(3,4,5-trimethoxyphenyl)pyrimidin-4-amine
CID 112906567
6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-[(2-methylphenyl)methyl]pyrimidine-4-carboxamide
CID 109327550
N-(4-acetylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109337849
N-(2-chloro-4,6-dimethylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966744
N-ethyl-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)-N-phenylpyrimidin-4-amine
CID 112928815
2-methyl-1-[4-methyl-6-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-2-yl]-2,3-dihydroindole
CID 112923882

Frequently Asked Questions

What is the IUPAC name of N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112928303) is N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is Cc1cc(C)cc(Nc2cc(C)nc(N3c4ccccc4CC3C)n2)c1.
What is the InChIKey of N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is WJCHBFGKHIRUAF-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H24N4/c1-14-9-15(2)11-19(10-14)24-21-12-16(3)23-22(25-21)26-17(4)13-18-7-5-6-8-20(18)26/h5-12,17H,13H2,1-4H3,(H,23,24,25).
What are the key properties of N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 344.46 g/mol, XLogP of 5.23, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112928303), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).