5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine

C14H13ClN4O — CID 123591416

IUPAC5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-c2c[nH]c3ccc(OC)cc23)n1
InChIInChI=1S/C14H13ClN4O/c1-16-14-18-7-11(15)13(19-14)10-6-17-12-4-3-8(20-2)5-9(10)12/h3-7,17H,1-2H3,(H,16,18,19)
InChIKeyBESHJGKGARVNNE-UHFFFAOYSA-N
MW288.74 g/mol
LogP3.33
Rot. Bonds3

About 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine

5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine (PubChem CID 123591416) has the molecular formula C14H13ClN4O and a molecular weight of 288.74 g/mol. Its IUPAC name is 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine.

Molecular Properties

Compound Name5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine
PubChem CID123591416
Molecular FormulaC14H13ClN4O
Molecular Weight288.74 g/mol
Exact Mass288.08
IUPAC Name5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine
SMILESCNc1ncc(Cl)c(-c2c[nH]c3ccc(OC)cc23)n1
InChIInChI=1S/C14H13ClN4O/c1-16-14-18-7-11(15)13(19-14)10-6-17-12-4-3-8(20-2)5-9(10)12/h3-7,17H,1-2H3,(H,16,18,19)
InChIKeyBESHJGKGARVNNE-UHFFFAOYSA-N
XLogP3.33
TPSA62.83 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500288.74
LogP ≤ 53.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

5-chloro-4-(1H-indol-4-yl)-N-methylpyrimidin-2-amine
CID 123474723
3-chloro-4-(5-methoxy-1H-indol-3-yl)cyclobut-3-ene-1,2-dione
CID 126480665
5-(3,5-dichloro-2-hydroxybenzoyl)-2-(5-methoxy-1H-indol-3-yl)pyridine-3-carbonitrile
CID 102222603
4-(5-methoxy-1H-indol-3-yl)-N-phenylpyrimidin-2-amine
CID 70148912
5-(5-methoxy-1H-indol-3-yl)-2H-triazole-4-carbonitrile
CID 137146928
5-chloro-4-(1H-indol-3-yl)-N-[4-(methylsulfonimidoyl)phenyl]pyrimidin-2-amine
CID 156576120
1-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-4-[2-(dimethylamino)ethoxy]-6-methoxybenzene-1,3-diamine
CID 118913189
3-N-[5-chloro-4-(1H-indol-3-yl)pyrimidin-2-yl]-4-methoxy-6-(4-methylpiperazin-1-yl)benzene-1,3-diamine
CID 73292722
3-bromo-5-methoxy-1H-indole;ethane
CID 145418707
5-chloro-4-(5-methyl-1H-indol-3-yl)-N-[(1R,3S)-3-piperazin-1-ylcyclohexyl]pyrimidin-2-amine
CID 129292950
3-(4-bromo-1H-pyrrol-3-yl)-5-methoxy-1H-indole
CID 70291499
5-(5-methoxy-1H-indol-3-yl)-1,3-dimethylpyrazol-4-amine
CID 135479895

Frequently Asked Questions

What is the IUPAC name of 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine?
The IUPAC name of 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine (CID 123591416) is 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine.
What is the SMILES notation for 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine?
The canonical SMILES for 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine is CNc1ncc(Cl)c(-c2c[nH]c3ccc(OC)cc23)n1.
What is the InChIKey of 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine?
The InChIKey is BESHJGKGARVNNE-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13ClN4O/c1-16-14-18-7-11(15)13(19-14)10-6-17-12-4-3-8(20-2)5-9(10)12/h3-7,17H,1-2H3,(H,16,18,19).
What are the key properties of 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine?
5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine has a molecular weight of 288.74 g/mol, XLogP of 3.33, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 5-chloro-4-(5-methoxy-1H-indol-3-yl)-N-methylpyrimidin-2-amine is sourced from PubChem (CID 123591416), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).