6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine

C20H20N4O — CID 112865076

IUPAC6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C20H20N4O/c1-14-7-8-18(25-2)16(11-14)23-19-12-20(22-13-21-19)24-10-9-15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyMLDSOLWNCFTJDK-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.23
Rot. Bonds4

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

6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine (PubChem CID 112865076) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
PubChem CID112865076
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine
SMILESCOc1ccc(C)cc1Nc1cc(N2CCc3ccccc32)ncn1
InChIInChI=1S/C20H20N4O/c1-14-7-8-18(25-2)16(11-14)23-19-12-20(22-13-21-19)24-10-9-15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23)
InChIKeyMLDSOLWNCFTJDK-UHFFFAOYSA-N
XLogP4.23
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.23
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

3,4-dihydro-2H-quinolin-1-yl-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]methanone
CID 109356724
5-(3,4-dihydro-2H-quinolin-1-yl)-N-(2-methoxy-5-methylphenyl)-1,2,4-triazin-3-amine
CID 112962799
2,3-dihydroindol-1-yl-[6-(2-methoxy-5-methylanilino)pyridazin-3-yl]methanone
CID 109127391
1-[4-[6-(2-methoxy-5-methylanilino)pyrimidin-4-yl]piperazin-1-yl]ethanone
CID 112858485
6-N-(2-bromophenyl)-4-N-(2-methoxy-5-methylphenyl)pyrimidine-4,6-diamine
CID 112866380
4-N-(2,5-dimethylphenyl)-6-N-(2-methoxyphenyl)pyrimidine-4,6-diamine
CID 112865199
6-(2,3-dihydroindol-1-yl)-2-methyl-N-(4-methylphenyl)pyrimidin-4-amine
CID 112877083
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
1-(6-fluoropyrimidin-4-yl)-2,3-dihydroindole
CID 115416366
6-[4-(2-methoxyphenyl)piperazin-1-yl]-N-(2-methylphenyl)pyrimidin-4-amine
CID 112863083
6-(2,3-dihydroindol-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109356552
6-(2,3-dihydroindol-1-yl)-N-[(2-methoxyphenyl)methyl]-2-methylpyrimidin-4-amine
CID 112872815

Frequently Asked Questions

What is the IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine?
The IUPAC name of 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine (CID 112865076) is 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine.
What is the SMILES notation for 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine?
The canonical SMILES for 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine is COc1ccc(C)cc1Nc1cc(N2CCc3ccccc32)ncn1.
What is the InChIKey of 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine?
The InChIKey is MLDSOLWNCFTJDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-14-7-8-18(25-2)16(11-14)23-19-12-20(22-13-21-19)24-10-9-15-5-3-4-6-17(15)24/h3-8,11-13H,9-10H2,1-2H3,(H,21,22,23).
What are the key properties of 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine?
6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine has a molecular weight of 332.41 g/mol, XLogP of 4.23, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 6-(2,3-dihydroindol-1-yl)-N-(2-methoxy-5-methylphenyl)pyrimidin-4-amine is sourced from PubChem (CID 112865076), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).