6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine

C10H8Cl2FN3 — CID 86638089

IUPAC6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine
SMILESNC1(c2ccc(F)c(Cl)c2)C=C(Cl)NC=N1
InChIInChI=1S/C10H8Cl2FN3/c11-7-3-6(1-2-8(7)13)10(14)4-9(12)15-5-16-10/h1-5H,14H2,(H,15,16)
InChIKeyAHZTYRURLCODTP-UHFFFAOYSA-N
MW260.10 g/mol
LogP2.30
Rot. Bonds1

About 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine

6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine (PubChem CID 86638089) has the molecular formula C10H8Cl2FN3 and a molecular weight of 260.10 g/mol. Its IUPAC name is 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine
PubChem CID86638089
Molecular FormulaC10H8Cl2FN3
Molecular Weight260.10 g/mol
Exact Mass259.01
IUPAC Name6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine
SMILESNC1(c2ccc(F)c(Cl)c2)C=C(Cl)NC=N1
InChIInChI=1S/C10H8Cl2FN3/c11-7-3-6(1-2-8(7)13)10(14)4-9(12)15-5-16-10/h1-5H,14H2,(H,15,16)
InChIKeyAHZTYRURLCODTP-UHFFFAOYSA-N
XLogP2.30
TPSA50.41 Ų
H-Bond Donors2
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500260.10
LogP ≤ 52.30
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'N-C-halo', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine?
The IUPAC name of 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine (CID 86638089) is 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine?
The canonical SMILES for 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine is NC1(c2ccc(F)c(Cl)c2)C=C(Cl)NC=N1.
What is the InChIKey of 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine?
The InChIKey is AHZTYRURLCODTP-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H8Cl2FN3/c11-7-3-6(1-2-8(7)13)10(14)4-9(12)15-5-16-10/h1-5H,14H2,(H,15,16).
What are the key properties of 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine?
6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine has a molecular weight of 260.10 g/mol, XLogP of 2.30, 1 rotatable bonds, 2 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-4-(3-chloro-4-fluorophenyl)-1H-pyrimidin-4-amine is sourced from PubChem (CID 86638089), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).