4-(5-chloroindol-1-yl)pyrimidin-2-amine

C12H9ClN4 — CID 135203717

IUPAC4-(5-chloroindol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3cc(Cl)ccc32)n1
InChIInChI=1S/C12H9ClN4/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11/h1-7H,(H2,14,15,16)
InChIKeyGFAXPJUBMCHDSH-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.66
Rot. Bonds1

About 4-(5-chloroindol-1-yl)pyrimidin-2-amine

4-(5-chloroindol-1-yl)pyrimidin-2-amine (PubChem CID 135203717) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-(5-chloroindol-1-yl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-(5-chloroindol-1-yl)pyrimidin-2-amine
PubChem CID135203717
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-(5-chloroindol-1-yl)pyrimidin-2-amine
SMILESNc1nccc(-n2ccc3cc(Cl)ccc32)n1
InChIInChI=1S/C12H9ClN4/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11/h1-7H,(H2,14,15,16)
InChIKeyGFAXPJUBMCHDSH-UHFFFAOYSA-N
XLogP2.66
TPSA56.73 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-(5-chloroindol-1-yl)pyrimidin-2-amine?
The IUPAC name of 4-(5-chloroindol-1-yl)pyrimidin-2-amine (CID 135203717) is 4-(5-chloroindol-1-yl)pyrimidin-2-amine.
What is the SMILES notation for 4-(5-chloroindol-1-yl)pyrimidin-2-amine?
The canonical SMILES for 4-(5-chloroindol-1-yl)pyrimidin-2-amine is Nc1nccc(-n2ccc3cc(Cl)ccc32)n1.
What is the InChIKey of 4-(5-chloroindol-1-yl)pyrimidin-2-amine?
The InChIKey is GFAXPJUBMCHDSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-9-1-2-10-8(7-9)4-6-17(10)11-3-5-15-12(14)16-11/h1-7H,(H2,14,15,16).
What are the key properties of 4-(5-chloroindol-1-yl)pyrimidin-2-amine?
4-(5-chloroindol-1-yl)pyrimidin-2-amine has a molecular weight of 244.69 g/mol, XLogP of 2.66, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(5-chloroindol-1-yl)pyrimidin-2-amine is sourced from PubChem (CID 135203717), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).