2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine

C14H9Cl2N5 — CID 87372188

IUPAC2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine
SMILESNc1nc(-c2ccnc(Cl)c2)ncc1-c1ccnc(Cl)c1
InChIInChI=1S/C14H9Cl2N5/c15-11-5-8(1-3-18-11)10-7-20-14(21-13(10)17)9-2-4-19-12(16)6-9/h1-7H,(H2,17,20,21)
InChIKeyPOOGFKLXVCQUDK-UHFFFAOYSA-N
MW318.17 g/mol
LogP3.49
Rot. Bonds2

About 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine

2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine (PubChem CID 87372188) has the molecular formula C14H9Cl2N5 and a molecular weight of 318.17 g/mol. Its IUPAC name is 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine
PubChem CID87372188
Molecular FormulaC14H9Cl2N5
Molecular Weight318.17 g/mol
Exact Mass317.02
IUPAC Name2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine
SMILESNc1nc(-c2ccnc(Cl)c2)ncc1-c1ccnc(Cl)c1
InChIInChI=1S/C14H9Cl2N5/c15-11-5-8(1-3-18-11)10-7-20-14(21-13(10)17)9-2-4-19-12(16)6-9/h1-7H,(H2,17,20,21)
InChIKeyPOOGFKLXVCQUDK-UHFFFAOYSA-N
XLogP3.49
TPSA77.58 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500318.17
LogP ≤ 53.49
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': '2-halo_pyridine', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine?
The IUPAC name of 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine (CID 87372188) is 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine is Nc1nc(-c2ccnc(Cl)c2)ncc1-c1ccnc(Cl)c1.
What is the InChIKey of 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine?
The InChIKey is POOGFKLXVCQUDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H9Cl2N5/c15-11-5-8(1-3-18-11)10-7-20-14(21-13(10)17)9-2-4-19-12(16)6-9/h1-7H,(H2,17,20,21).
What are the key properties of 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine?
2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine has a molecular weight of 318.17 g/mol, XLogP of 3.49, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-chloro-4-pyridinyl)pyrimidin-4-amine is sourced from PubChem (CID 87372188), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).