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

C20H19ClN4O — CID 22543307

IUPAC4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(N3CCc4ccccc43)c2N)cc(C)c1Cl
InChIInChI=1S/C20H19ClN4O/c1-12-9-15(10-13(2)17(12)21)26-20-18(22)19(23-11-24-20)25-8-7-14-5-3-4-6-16(14)25/h3-6,9-11H,7-8,22H2,1-2H3
InChIKeyYWZNZSGRSCJYAJ-UHFFFAOYSA-N
MW366.85 g/mol
LogP4.82
Rot. Bonds3

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

4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine (PubChem CID 22543307) has the molecular formula C20H19ClN4O and a molecular weight of 366.85 g/mol. Its IUPAC name is 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
PubChem CID22543307
Molecular FormulaC20H19ClN4O
Molecular Weight366.85 g/mol
Exact Mass366.12
IUPAC Name4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine
SMILESCc1cc(Oc2ncnc(N3CCc4ccccc43)c2N)cc(C)c1Cl
InChIInChI=1S/C20H19ClN4O/c1-12-9-15(10-13(2)17(12)21)26-20-18(22)19(23-11-24-20)25-8-7-14-5-3-4-6-16(14)25/h3-6,9-11H,7-8,22H2,1-2H3
InChIKeyYWZNZSGRSCJYAJ-UHFFFAOYSA-N
XLogP4.82
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500366.85
LogP ≤ 54.82
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-(2,3-dihydroindol-1-yl)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 22543342
1-[6-(4-chloro-3,5-dimethylphenoxy)-5-nitropyrimidin-4-yl]-2,3-dihydroindole
CID 23481841
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
4-(4-benzylpiperazin-1-yl)-6-(4-chloro-3,5-dimethylphenoxy)pyrimidin-5-amine
CID 19139347
4-(4-chloro-3,5-dimethylphenoxy)-6-(3,4-dimethylphenoxy)pyrimidin-5-amine
CID 19153202
4-(3,4-dihydro-1H-isoquinolin-2-yl)-6-phenoxypyrimidin-5-amine
CID 19147484
6-(4-chloro-3,5-dimethylphenoxy)-4-N-methyl-4-N-phenylpyrimidine-4,5-diamine
CID 19144528
4-N-(3,4-dichlorophenyl)-6-(2,3-dihydroindol-1-yl)pyrimidine-4,5-diamine
CID 22543153
4-(2,3-dihydroindol-1-yl)-6-(4-methylpiperidin-1-yl)pyrimidin-5-amine
CID 22543189
6-(4-chloro-3,5-dimethylphenoxy)-5-methylpyrimidin-4-amine
CID 80875265
6-(2,3-dihydroindol-1-yl)-4-N-phenylpyrimidine-4,5-diamine
CID 22543241

Frequently Asked Questions

What is the IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The IUPAC name of 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine (CID 22543307) is 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The canonical SMILES for 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine is Cc1cc(Oc2ncnc(N3CCc4ccccc43)c2N)cc(C)c1Cl.
What is the InChIKey of 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
The InChIKey is YWZNZSGRSCJYAJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H19ClN4O/c1-12-9-15(10-13(2)17(12)21)26-20-18(22)19(23-11-24-20)25-8-7-14-5-3-4-6-16(14)25/h3-6,9-11H,7-8,22H2,1-2H3.
What are the key properties of 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine?
4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine has a molecular weight of 366.85 g/mol, XLogP of 4.82, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(4-chloro-3,5-dimethylphenoxy)-6-(2,3-dihydroindol-1-yl)pyrimidin-5-amine is sourced from PubChem (CID 22543307), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).