[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone

C18H19N5O — CID 138009191

IUPAC[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
SMILESCCn1cc(C(=O)N2CC(c3ccnc(N)n3)C2)c2ccccc21
InChIInChI=1S/C18H19N5O/c1-2-22-11-14(13-5-3-4-6-16(13)22)17(24)23-9-12(10-23)15-7-8-20-18(19)21-15/h3-8,11-12H,2,9-10H2,1H3,(H2,19,20,21)
InChIKeyXWRMYDKMAHGYKQ-UHFFFAOYSA-N
MW321.38 g/mol
LogP2.27
Rot. Bonds3

About [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone

[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone (PubChem CID 138009191) has the molecular formula C18H19N5O and a molecular weight of 321.38 g/mol. Its IUPAC name is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone.

Molecular Properties

Compound Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
PubChem CID138009191
Molecular FormulaC18H19N5O
Molecular Weight321.38 g/mol
Exact Mass321.16
IUPAC Name[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone
SMILESCCn1cc(C(=O)N2CC(c3ccnc(N)n3)C2)c2ccccc21
InChIInChI=1S/C18H19N5O/c1-2-22-11-14(13-5-3-4-6-16(13)22)17(24)23-9-12(10-23)15-7-8-20-18(19)21-15/h3-8,11-12H,2,9-10H2,1H3,(H2,19,20,21)
InChIKeyXWRMYDKMAHGYKQ-UHFFFAOYSA-N
XLogP2.27
TPSA77.04 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500321.38
LogP ≤ 52.27
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone?
The IUPAC name of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone (CID 138009191) is [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone.
What is the SMILES notation for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone?
The canonical SMILES for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone is CCn1cc(C(=O)N2CC(c3ccnc(N)n3)C2)c2ccccc21.
What is the InChIKey of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone?
The InChIKey is XWRMYDKMAHGYKQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H19N5O/c1-2-22-11-14(13-5-3-4-6-16(13)22)17(24)23-9-12(10-23)15-7-8-20-18(19)21-15/h3-8,11-12H,2,9-10H2,1H3,(H2,19,20,21).
What are the key properties of [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone?
[3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone has a molecular weight of 321.38 g/mol, XLogP of 2.27, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for [3-(2-aminopyrimidin-4-yl)azetidin-1-yl]-(1-ethylindol-3-yl)methanone is sourced from PubChem (CID 138009191), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).