4-(1-ethylindol-3-yl)pyrimidin-2-amine

C14H14N4 — CID 16750666

IUPAC4-(1-ethylindol-3-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(N)n2)c2ccccc21
InChIInChI=1S/C14H14N4/c1-2-18-9-11(10-5-3-4-6-13(10)18)12-7-8-16-14(15)17-12/h3-9H,2H2,1H3,(H2,15,16,17)
InChIKeyJCWRELOOEGRLOQ-UHFFFAOYSA-N
MW238.29 g/mol
LogP2.70
Rot. Bonds2

About 4-(1-ethylindol-3-yl)pyrimidin-2-amine

4-(1-ethylindol-3-yl)pyrimidin-2-amine (PubChem CID 16750666) has the molecular formula C14H14N4 and a molecular weight of 238.29 g/mol. Its IUPAC name is 4-(1-ethylindol-3-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(1-ethylindol-3-yl)pyrimidin-2-amine
PubChem CID16750666
Molecular FormulaC14H14N4
Molecular Weight238.29 g/mol
Exact Mass238.12
IUPAC Name4-(1-ethylindol-3-yl)pyrimidin-2-amine
SMILESCCn1cc(-c2ccnc(N)n2)c2ccccc21
InChIInChI=1S/C14H14N4/c1-2-18-9-11(10-5-3-4-6-13(10)18)12-7-8-16-14(15)17-12/h3-9H,2H2,1H3,(H2,15,16,17)
InChIKeyJCWRELOOEGRLOQ-UHFFFAOYSA-N
XLogP2.70
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 52.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(4-chlorophenyl)-6-(1-ethylindol-3-yl)pyrimidin-2-amine
CID 123323218
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
CID 138009191
1-ethyl-3-(1-ethylimidazol-2-yl)indole
CID 110540406
4-(4,7-dibromo-1-ethylindol-3-yl)pyrimidin-2-amine
CID 16750668
4-[5-bromo-1-[3-(dimethylamino)propyl]indol-3-yl]pyrimidin-2-amine
CID 175086497
4-[1-(4-bromophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737109
1-(2-methoxyethyl)-3-(2-pyrrolidin-1-ylpyrimidin-4-yl)indole
CID 43841543
4-(1,2-dimethylindol-3-yl)pyrimidin-2-amine
CID 82292204
4-[1-(2,4-difluorophenyl)sulfonylindol-3-yl]pyrimidin-2-amine
CID 118737104
1-ethyl-3-quinolin-2-ylquinolin-4-one
CID 11277995
4-(2-aminophenyl)pyrimidin-2-amine
CID 73441764
ethyl 5-(2-aminopyrimidin-4-yl)-2-(1-methylindol-3-yl)-1H-pyrrole-3-carboxylate
CID 68945170

Frequently Asked Questions

What is the IUPAC name of 4-(1-ethylindol-3-yl)pyrimidin-2-amine?
The IUPAC name of 4-(1-ethylindol-3-yl)pyrimidin-2-amine (CID 16750666) is 4-(1-ethylindol-3-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(1-ethylindol-3-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(1-ethylindol-3-yl)pyrimidin-2-amine is CCn1cc(-c2ccnc(N)n2)c2ccccc21.
What is the InChIKey of 4-(1-ethylindol-3-yl)pyrimidin-2-amine?
The InChIKey is JCWRELOOEGRLOQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14N4/c1-2-18-9-11(10-5-3-4-6-13(10)18)12-7-8-16-14(15)17-12/h3-9H,2H2,1H3,(H2,15,16,17).
What are the key properties of 4-(1-ethylindol-3-yl)pyrimidin-2-amine?
4-(1-ethylindol-3-yl)pyrimidin-2-amine has a molecular weight of 238.29 g/mol, XLogP of 2.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(1-ethylindol-3-yl)pyrimidin-2-amine is sourced from PubChem (CID 16750666), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).