(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone

C15H12ClN3O — CID 87604851

IUPAC(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone
SMILESCc1cccc2c1c(C(=O)c1cc(Cl)ncn1)cn2C
InChIInChI=1S/C15H12ClN3O/c1-9-4-3-5-12-14(9)10(7-19(12)2)15(20)11-6-13(16)18-8-17-11/h3-8H,1-2H3
InChIKeyGMYXNVGGDGNQKJ-UHFFFAOYSA-N
MW285.73 g/mol
LogP3.16
Rot. Bonds2

About (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone

(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone (PubChem CID 87604851) has the molecular formula C15H12ClN3O and a molecular weight of 285.73 g/mol. Its IUPAC name is (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone.

Molecular Properties

Compound Name(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone
PubChem CID87604851
Molecular FormulaC15H12ClN3O
Molecular Weight285.73 g/mol
Exact Mass285.07
IUPAC Name(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone
SMILESCc1cccc2c1c(C(=O)c1cc(Cl)ncn1)cn2C
InChIInChI=1S/C15H12ClN3O/c1-9-4-3-5-12-14(9)10(7-19(12)2)15(20)11-6-13(16)18-8-17-11/h3-8H,1-2H3
InChIKeyGMYXNVGGDGNQKJ-UHFFFAOYSA-N
XLogP3.16
TPSA47.78 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500285.73
LogP ≤ 53.16
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone?
The IUPAC name of (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone (CID 87604851) is (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone.
What is the SMILES notation for (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone?
The canonical SMILES for (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone is Cc1cccc2c1c(C(=O)c1cc(Cl)ncn1)cn2C.
What is the InChIKey of (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone?
The InChIKey is GMYXNVGGDGNQKJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H12ClN3O/c1-9-4-3-5-12-14(9)10(7-19(12)2)15(20)11-6-13(16)18-8-17-11/h3-8H,1-2H3.
What are the key properties of (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone?
(6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone has a molecular weight of 285.73 g/mol, XLogP of 3.16, 2 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (6-chloropyrimidin-4-yl)-(1,4-dimethylindol-3-yl)methanone is sourced from PubChem (CID 87604851), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).