2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine

C9H6Cl2N4 — CID 79786246

IUPAC2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine
SMILESNc1cnc(-c2ncc(Cl)cc2Cl)nc1
InChIInChI=1S/C9H6Cl2N4/c10-5-1-7(11)8(13-2-5)9-14-3-6(12)4-15-9/h1-4H,12H2
InChIKeyONFXHPYOVYEISS-UHFFFAOYSA-N
MW241.08 g/mol
LogP2.43
Rot. Bonds1

About 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine

2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine (PubChem CID 79786246) has the molecular formula C9H6Cl2N4 and a molecular weight of 241.08 g/mol. Its IUPAC name is 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine.

Molecular Properties

Compound Name2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine
PubChem CID79786246
Molecular FormulaC9H6Cl2N4
Molecular Weight241.08 g/mol
Exact Mass240.00
IUPAC Name2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine
SMILESNc1cnc(-c2ncc(Cl)cc2Cl)nc1
InChIInChI=1S/C9H6Cl2N4/c10-5-1-7(11)8(13-2-5)9-14-3-6(12)4-15-9/h1-4H,12H2
InChIKeyONFXHPYOVYEISS-UHFFFAOYSA-N
XLogP2.43
TPSA64.69 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500241.08
LogP ≤ 52.43
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine?
The IUPAC name of 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine (CID 79786246) is 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine.
What is the SMILES notation for 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine?
The canonical SMILES for 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine is Nc1cnc(-c2ncc(Cl)cc2Cl)nc1.
What is the InChIKey of 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine?
The InChIKey is ONFXHPYOVYEISS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H6Cl2N4/c10-5-1-7(11)8(13-2-5)9-14-3-6(12)4-15-9/h1-4H,12H2.
What are the key properties of 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine?
2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine has a molecular weight of 241.08 g/mol, XLogP of 2.43, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(3,5-dichloro-2-pyridinyl)pyrimidin-5-amine is sourced from PubChem (CID 79786246), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).