6-chloro-5-(fluoromethyl)pyrimidin-4-amine

C5H5ClFN3 — CID 123152485

IUPAC6-chloro-5-(fluoromethyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CF
InChIInChI=1S/C5H5ClFN3/c6-4-3(1-7)5(8)10-2-9-4/h2H,1H2,(H2,8,9,10)
InChIKeyYMQDTSJQANXHSH-UHFFFAOYSA-N
MW161.57 g/mol
LogP1.18
Rot. Bonds1

About 6-chloro-5-(fluoromethyl)pyrimidin-4-amine

6-chloro-5-(fluoromethyl)pyrimidin-4-amine (PubChem CID 123152485) has the molecular formula C5H5ClFN3 and a molecular weight of 161.57 g/mol. Its IUPAC name is 6-chloro-5-(fluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(fluoromethyl)pyrimidin-4-amine
PubChem CID123152485
Molecular FormulaC5H5ClFN3
Molecular Weight161.57 g/mol
Exact Mass161.02
IUPAC Name6-chloro-5-(fluoromethyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CF
InChIInChI=1S/C5H5ClFN3/c6-4-3(1-7)5(8)10-2-9-4/h2H,1H2,(H2,8,9,10)
InChIKeyYMQDTSJQANXHSH-UHFFFAOYSA-N
XLogP1.18
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds1
Heavy Atoms10
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500161.57
LogP ≤ 51.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(fluoromethyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(fluoromethyl)pyrimidin-4-amine (CID 123152485) is 6-chloro-5-(fluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(fluoromethyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(fluoromethyl)pyrimidin-4-amine is Nc1ncnc(Cl)c1CF.
What is the InChIKey of 6-chloro-5-(fluoromethyl)pyrimidin-4-amine?
The InChIKey is YMQDTSJQANXHSH-UHFFFAOYSA-N. The full InChI is InChI=1S/C5H5ClFN3/c6-4-3(1-7)5(8)10-2-9-4/h2H,1H2,(H2,8,9,10).
What are the key properties of 6-chloro-5-(fluoromethyl)pyrimidin-4-amine?
6-chloro-5-(fluoromethyl)pyrimidin-4-amine has a molecular weight of 161.57 g/mol, XLogP of 1.18, 1 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(fluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 123152485), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).