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

C21H22N4 — CID 112927146

IUPAC4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(Nc2ccccc2C)n1
InChIInChI=1S/C21H22N4/c1-14-8-4-6-10-18(14)23-21-22-15(2)12-20(24-21)25-16(3)13-17-9-5-7-11-19(17)25/h4-12,16H,13H2,1-3H3,(H,22,23,24)
InChIKeyCPGSJBNUPVRPEE-UHFFFAOYSA-N
MW330.44 g/mol
LogP4.92
Rot. Bonds3

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

4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine (PubChem CID 112927146) has the molecular formula C21H22N4 and a molecular weight of 330.44 g/mol. Its IUPAC name is 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
PubChem CID112927146
Molecular FormulaC21H22N4
Molecular Weight330.44 g/mol
Exact Mass330.18
IUPAC Name4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(Nc2ccccc2C)n1
InChIInChI=1S/C21H22N4/c1-14-8-4-6-10-18(14)23-21-22-15(2)12-20(24-21)25-16(3)13-17-9-5-7-11-19(17)25/h4-12,16H,13H2,1-3H3,(H,22,23,24)
InChIKeyCPGSJBNUPVRPEE-UHFFFAOYSA-N
XLogP4.92
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500330.44
LogP ≤ 54.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

N-(2-fluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929425
N-(2-methoxyphenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112930529
N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112932074
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929781
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932042
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
4-methyl-N-(2-methylphenyl)-6-morpholin-4-ylpyrimidin-2-amine
CID 112912131
5-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-propan-2-ylphenyl)-1,2,4-triazin-3-amine
CID 112964738

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine (CID 112927146) is 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine is Cc1cc(N2c3ccccc3CC2C)nc(Nc2ccccc2C)n1.
What is the InChIKey of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine?
The InChIKey is CPGSJBNUPVRPEE-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H22N4/c1-14-8-4-6-10-18(14)23-21-22-15(2)12-20(24-21)25-16(3)13-17-9-5-7-11-19(17)25/h4-12,16H,13H2,1-3H3,(H,22,23,24).
What are the key properties of 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine?
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine has a molecular weight of 330.44 g/mol, XLogP of 4.92, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine is sourced from PubChem (CID 112927146), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).