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

C20H20N4 — CID 112902001

IUPAC4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C20H20N4/c1-14-7-9-17(10-8-14)22-20-21-12-11-19(23-20)24-15(2)13-16-5-3-4-6-18(16)24/h3-12,15H,13H2,1-2H3,(H,21,22,23)
InChIKeyBZJPEIMXENQMHS-UHFFFAOYSA-N
MW316.41 g/mol
LogP4.61
Rot. Bonds3

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

4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine (PubChem CID 112902001) has the molecular formula C20H20N4 and a molecular weight of 316.41 g/mol. Its IUPAC name is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
PubChem CID112902001
Molecular FormulaC20H20N4
Molecular Weight316.41 g/mol
Exact Mass316.17
IUPAC Name4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
SMILESCc1ccc(Nc2nccc(N3c4ccccc4CC3C)n2)cc1
InChIInChI=1S/C20H20N4/c1-14-7-9-17(10-8-14)22-20-21-12-11-19(23-20)24-15(2)13-16-5-3-4-6-18(16)24/h3-12,15H,13H2,1-2H3,(H,21,22,23)
InChIKeyBZJPEIMXENQMHS-UHFFFAOYSA-N
XLogP4.61
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.41
LogP ≤ 54.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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4-[[4-[4-(2-Cyanoethyl)-2,6-dimethyl-anilino]pyrimidin-2-yl]amino]benzonitrile
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Importazole
CID 2949965
CP-154526
CID 5311055
2-N,4-N-diphenylpyrimidine-2,4-diamine
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2-Methyl-3-{[4-(Pyridin-2-Yl)piperazin-1-Yl]methyl}-1h-Indole
CID 2813100
N-(2,6-Dimethylphenyl)-5-phenylimidazo[1,5-a]pyrazin-8-amine
CID 44422489
4-(1H-indol-3-yl)pyrimidin-2-amine
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CID 44820374

Frequently Asked Questions

What is the IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine (CID 112902001) is 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine is Cc1ccc(Nc2nccc(N3c4ccccc4CC3C)n2)cc1.
What is the InChIKey of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
The InChIKey is BZJPEIMXENQMHS-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4/c1-14-7-9-17(10-8-14)22-20-21-12-11-19(23-20)24-15(2)13-16-5-3-4-6-18(16)24/h3-12,15H,13H2,1-2H3,(H,21,22,23).
What are the key properties of 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine?
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine has a molecular weight of 316.41 g/mol, XLogP of 4.61, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112902001), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).