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

C20H19ClN4 — CID 112929830

IUPACN-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H19ClN4/c1-13-11-19(23-17-9-7-16(21)8-10-17)24-20(22-13)25-14(2)12-15-5-3-4-6-18(15)25/h3-11,14H,12H2,1-2H3,(H,22,23,24)
InChIKeyOQWPZIGLSZHCQF-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.26
Rot. Bonds3

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

N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (PubChem CID 112929830) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
PubChem CID112929830
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC NameN-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
SMILESCc1cc(Nc2ccc(Cl)cc2)nc(N2c3ccccc3CC2C)n1
InChIInChI=1S/C20H19ClN4/c1-13-11-19(23-17-9-7-16(21)8-10-17)24-20(22-13)25-14(2)12-15-5-3-4-6-18(15)25/h3-11,14H,12H2,1-2H3,(H,22,23,24)
InChIKeyOQWPZIGLSZHCQF-UHFFFAOYSA-N
XLogP5.26
TPSA41.05 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500350.85
LogP ≤ 55.26
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

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
N-(3,5-dimethylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112928303
3-[[6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-yl]amino]benzoic acid
CID 113194544
N-(4-chlorophenyl)-2-(2,3-dihydroindol-1-yl)-6-methylpyrimidin-4-amine
CID 112927774
N-(3-methoxypropyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112911855
N-(4-acetylphenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidine-4-carboxamide
CID 109337849
N-(5-chloro-2-methylphenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112966302
N-[2-(4-methoxyphenoxy)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112924525
N-(2,5-dichlorophenyl)-3-(2-methyl-2,3-dihydroindol-1-yl)-1,2,4-triazin-5-amine
CID 112969508
4-chloro-6-(2-methyl-2,3-dihydroindol-1-yl)-1,3,5-triazin-2-amine
CID 80754131
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112929781
N-[2-(1H-indol-3-yl)ethyl]-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112922431

Frequently Asked Questions

What is the IUPAC name of N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The IUPAC name of N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine (CID 112929830) is N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine.
What is the SMILES notation for N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The canonical SMILES for N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is Cc1cc(Nc2ccc(Cl)cc2)nc(N2c3ccccc3CC2C)n1.
What is the InChIKey of N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
The InChIKey is OQWPZIGLSZHCQF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c1-13-11-19(23-17-9-7-16(21)8-10-17)24-20(22-13)25-14(2)12-15-5-3-4-6-18(15)25/h3-11,14H,12H2,1-2H3,(H,22,23,24).
What are the key properties of N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine?
N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine has a molecular weight of 350.85 g/mol, XLogP of 5.26, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 112929830), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).