4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine

C20H20N4O — CID 22543342

IUPAC4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCc4ccccc43)c2N)cc1C
InChIInChI=1S/C20H20N4O/c1-13-7-8-16(11-14(13)2)25-20-18(21)19(22-12-23-20)24-10-9-15-5-3-4-6-17(15)24/h3-8,11-12H,9-10,21H2,1-2H3
InChIKeyGIGQQQZDMWLHNM-UHFFFAOYSA-N
MW332.41 g/mol
LogP4.16
Rot. Bonds3

About 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine

4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine (PubChem CID 22543342) has the molecular formula C20H20N4O and a molecular weight of 332.41 g/mol. Its IUPAC name is 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
PubChem CID22543342
Molecular FormulaC20H20N4O
Molecular Weight332.41 g/mol
Exact Mass332.16
IUPAC Name4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
SMILESCc1ccc(Oc2ncnc(N3CCc4ccccc43)c2N)cc1C
InChIInChI=1S/C20H20N4O/c1-13-7-8-16(11-14(13)2)25-20-18(21)19(22-12-23-20)24-10-9-15-5-3-4-6-17(15)24/h3-8,11-12H,9-10,21H2,1-2H3
InChIKeyGIGQQQZDMWLHNM-UHFFFAOYSA-N
XLogP4.16
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500332.41
LogP ≤ 54.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543307
4-(4-bromophenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
CID 22543348
4-(3,4-dihydro-2H-quinolin-1-yl)-6-(4-propan-2-ylphenoxy)pyrimidin-5-amine
CID 19138753
1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-2,3-dihydroindole
CID 23481841
4-(4-benzylpiperazin-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19139382
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
4-(3,4-dimethylphenoxy)-6-(2-ethylpiperidin-1-yl)pyrimidin-5-amine
CID 19140572
6-(2,3-dihydroindol-1-yl)-4-N-(2,4-dimethoxyphenyl)pyrimidine-4,5-diamine
CID 22543205
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
6-(2,3-dihydroindol-1-yl)-4-N-(2-methoxyphenyl)pyrimidine-4,5-diamine
CID 22543245
2-[6-(4-chloro-3-methylphenoxy)-5-nitropyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 22531604

Frequently Asked Questions

What is the IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The IUPAC name of 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine (CID 22543342) is 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine.
What is the SMILES notation for 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The canonical SMILES for 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine is Cc1ccc(Oc2ncnc(N3CCc4ccccc43)c2N)cc1C.
What is the InChIKey of 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
The InChIKey is GIGQQQZDMWLHNM-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O/c1-13-7-8-16(11-14(13)2)25-20-18(21)19(22-12-23-20)24-10-9-15-5-3-4-6-17(15)24/h3-8,11-12H,9-10,21H2,1-2H3.
What are the key properties of 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine?
4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine has a molecular weight of 332.41 g/mol, XLogP of 4.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine is sourced from PubChem (CID 22543342), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).