2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine

C7H8Cl2FN3 — CID 137418337

IUPAC2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine
SMILESCC(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2FN3/c1-4(10)2-11-6-5(8)3-12-7(9)13-6/h3-4H,2H2,1H3,(H,11,12,13)
InChIKeyTWLHNJZEZWIICG-UHFFFAOYSA-N
MW224.07 g/mol
LogP2.55
Rot. Bonds3

About 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine

2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine (PubChem CID 137418337) has the molecular formula C7H8Cl2FN3 and a molecular weight of 224.07 g/mol. Its IUPAC name is 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine
PubChem CID137418337
Molecular FormulaC7H8Cl2FN3
Molecular Weight224.07 g/mol
Exact Mass223.01
IUPAC Name2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine
SMILESCC(F)CNc1nc(Cl)ncc1Cl
InChIInChI=1S/C7H8Cl2FN3/c1-4(10)2-11-6-5(8)3-12-7(9)13-6/h3-4H,2H2,1H3,(H,11,12,13)
InChIKeyTWLHNJZEZWIICG-UHFFFAOYSA-N
XLogP2.55
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.07
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine?
The IUPAC name of 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine (CID 137418337) is 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine is CC(F)CNc1nc(Cl)ncc1Cl.
What is the InChIKey of 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine?
The InChIKey is TWLHNJZEZWIICG-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H8Cl2FN3/c1-4(10)2-11-6-5(8)3-12-7(9)13-6/h3-4H,2H2,1H3,(H,11,12,13).
What are the key properties of 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine?
2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine has a molecular weight of 224.07 g/mol, XLogP of 2.55, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-dichloro-N-(2-fluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 137418337), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).