2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene

C11H11ClFN3 — CID 174441356

IUPAC2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene
SMILESCc1ccc(F)cc1.Nc1ccnc(Cl)n1
InChIInChI=1S/C7H7F.C4H4ClN3/c1-6-2-4-7(8)5-3-6;5-4-7-2-1-3(6)8-4/h2-5H,1H3;1-2H,(H2,6,7,8)
InChIKeyOUVFPTOAUDAGQD-UHFFFAOYSA-N
MW239.68 g/mol
LogP2.85
Rot. Bonds

About 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene

2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene (PubChem CID 174441356) has the molecular formula C11H11ClFN3 and a molecular weight of 239.68 g/mol. Its IUPAC name is 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene.

Molecular Properties

Compound Name2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene
PubChem CID174441356
Molecular FormulaC11H11ClFN3
Molecular Weight239.68 g/mol
Exact Mass239.06
IUPAC Name2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene
SMILESCc1ccc(F)cc1.Nc1ccnc(Cl)n1
InChIInChI=1S/C7H7F.C4H4ClN3/c1-6-2-4-7(8)5-3-6;5-4-7-2-1-3(6)8-4/h2-5H,1H3;1-2H,(H2,6,7,8)
InChIKeyOUVFPTOAUDAGQD-UHFFFAOYSA-N
XLogP2.85
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.68
LogP ≤ 52.85
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene?
The IUPAC name of 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene (CID 174441356) is 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene.
What is the SMILES notation for 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene?
The canonical SMILES for 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene is Cc1ccc(F)cc1.Nc1ccnc(Cl)n1.
What is the InChIKey of 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene?
The InChIKey is OUVFPTOAUDAGQD-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H7F.C4H4ClN3/c1-6-2-4-7(8)5-3-6;5-4-7-2-1-3(6)8-4/h2-5H,1H3;1-2H,(H2,6,7,8).
What are the key properties of 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene?
2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene has a molecular weight of 239.68 g/mol, XLogP of 2.85, 0 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2-chloropyrimidin-4-amine;1-fluoro-4-methylbenzene is sourced from PubChem (CID 174441356), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).