6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine

C7H9ClFN3 — CID 123699533

IUPAC6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CCCF
InChIInChI=1S/C7H9ClFN3/c8-6-5(2-1-3-9)7(10)12-4-11-6/h4H,1-3H2,(H2,10,11,12)
InChIKeyKIDAHZOLOSAMKK-UHFFFAOYSA-N
MW189.62 g/mol
LogP1.61
Rot. Bonds3

About 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine

6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine (PubChem CID 123699533) has the molecular formula C7H9ClFN3 and a molecular weight of 189.62 g/mol. Its IUPAC name is 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine.

Molecular Properties

Compound Name6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine
PubChem CID123699533
Molecular FormulaC7H9ClFN3
Molecular Weight189.62 g/mol
Exact Mass189.05
IUPAC Name6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine
SMILESNc1ncnc(Cl)c1CCCF
InChIInChI=1S/C7H9ClFN3/c8-6-5(2-1-3-9)7(10)12-4-11-6/h4H,1-3H2,(H2,10,11,12)
InChIKeyKIDAHZOLOSAMKK-UHFFFAOYSA-N
XLogP1.61
TPSA51.80 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500189.62
LogP ≤ 51.61
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine?
The IUPAC name of 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine (CID 123699533) is 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine.
What is the SMILES notation for 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine?
The canonical SMILES for 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine is Nc1ncnc(Cl)c1CCCF.
What is the InChIKey of 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine?
The InChIKey is KIDAHZOLOSAMKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9ClFN3/c8-6-5(2-1-3-9)7(10)12-4-11-6/h4H,1-3H2,(H2,10,11,12).
What are the key properties of 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine?
6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine has a molecular weight of 189.62 g/mol, XLogP of 1.61, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 6-chloro-5-(3-fluoropropyl)pyrimidin-4-amine is sourced from PubChem (CID 123699533), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).