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

C20H19ClN4 — CID 112929781

IUPACN-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4/c1-13-10-19(25-14(2)11-15-6-3-4-9-18(15)25)24-20(22-13)23-17-8-5-7-16(21)12-17/h3-10,12,14H,11H2,1-2H3,(H,22,23,24)
InChIKeyROONQDWPDRBSKY-UHFFFAOYSA-N
MW350.85 g/mol
LogP5.26
Rot. Bonds3

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

N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (PubChem CID 112929781) has the molecular formula C20H19ClN4 and a molecular weight of 350.85 g/mol. Its IUPAC name is N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
PubChem CID112929781
Molecular FormulaC20H19ClN4
Molecular Weight350.85 g/mol
Exact Mass350.13
IUPAC NameN-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
SMILESCc1cc(N2c3ccccc3CC2C)nc(Nc2cccc(Cl)c2)n1
InChIInChI=1S/C20H19ClN4/c1-13-10-19(25-14(2)11-15-6-3-4-9-18(15)25)24-20(22-13)23-17-8-5-7-16(21)12-17/h3-10,12,14H,11H2,1-2H3,(H,22,23,24)
InChIKeyROONQDWPDRBSKY-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

N-[2-(3-chlorophenyl)ethyl]-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112926547
N-(2,3-dihydro-1,4-benzodioxin-6-yl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932042
N-(2,6-difluorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine
CID 112932172
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(2-methylphenyl)pyrimidin-2-amine
CID 112927146
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
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-propylpyrimidin-2-amine
CID 80756884
N-[4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-yl]quinolin-8-amine
CID 112932074
4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)-N-(pyridin-4-ylmethyl)pyrimidin-2-amine
CID 112920011
1-[4-(chloromethyl)-6-methyl-2-pyridinyl]-2-methyl-2,3-dihydroindole
CID 113378830
N-(4-chlorophenyl)-6-methyl-2-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-4-amine
CID 112929830
4-(2-methyl-2,3-dihydroindol-1-yl)-N-(4-methylphenyl)pyrimidin-2-amine
CID 112902001

Frequently Asked Questions

What is the IUPAC name of N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine (CID 112929781) is N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is Cc1cc(N2c3ccccc3CC2C)nc(Nc2cccc(Cl)c2)n1.
What is the InChIKey of N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
The InChIKey is ROONQDWPDRBSKY-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4/c1-13-10-19(25-14(2)11-15-6-3-4-9-18(15)25)24-20(22-13)23-17-8-5-7-16(21)12-17/h3-10,12,14H,11H2,1-2H3,(H,22,23,24).
What are the key properties of N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine?
N-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-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-(3-chlorophenyl)-4-methyl-6-(2-methyl-2,3-dihydroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 112929781), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).