4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine

C12H9ClN4 — CID 87800834

IUPAC4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C12H9ClN4/c13-12-10(14)11(16-6-17-12)8-5-15-9-4-2-1-3-7(8)9/h1-6,15H,14H2
InChIKeyKIOXWKRVGZJWIC-UHFFFAOYSA-N
MW244.69 g/mol
LogP2.86
Rot. Bonds1

About 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine

4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine (PubChem CID 87800834) has the molecular formula C12H9ClN4 and a molecular weight of 244.69 g/mol. Its IUPAC name is 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine.

Molecular Properties

Compound Name4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
PubChem CID87800834
Molecular FormulaC12H9ClN4
Molecular Weight244.69 g/mol
Exact Mass244.05
IUPAC Name4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine
SMILESNc1c(Cl)ncnc1-c1c[nH]c2ccccc12
InChIInChI=1S/C12H9ClN4/c13-12-10(14)11(16-6-17-12)8-5-15-9-4-2-1-3-7(8)9/h1-6,15H,14H2
InChIKeyKIOXWKRVGZJWIC-UHFFFAOYSA-N
XLogP2.86
TPSA67.59 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.69
LogP ≤ 52.86
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine?
The IUPAC name of 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine (CID 87800834) is 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine.
What is the SMILES notation for 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine?
The canonical SMILES for 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine is Nc1c(Cl)ncnc1-c1c[nH]c2ccccc12.
What is the InChIKey of 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine?
The InChIKey is KIOXWKRVGZJWIC-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H9ClN4/c13-12-10(14)11(16-6-17-12)8-5-15-9-4-2-1-3-7(8)9/h1-6,15H,14H2.
What are the key properties of 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine?
4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine has a molecular weight of 244.69 g/mol, XLogP of 2.86, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 4-chloro-6-(1H-indol-3-yl)pyrimidin-5-amine is sourced from PubChem (CID 87800834), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).