N-(3,3-difluoropropyl)pyrimidin-2-amine

C7H9F2N3 — CID 131114276

IUPACN-(3,3-difluoropropyl)pyrimidin-2-amine
SMILESFC(F)CCNc1ncccn1
InChIInChI=1S/C7H9F2N3/c8-6(9)2-5-12-7-10-3-1-4-11-7/h1,3-4,6H,2,5H2,(H,10,11,12)
InChIKeyJAQXCHZFLVSXAQ-UHFFFAOYSA-N
MW173.17 g/mol
LogP1.54
Rot. Bonds4

About N-(3,3-difluoropropyl)pyrimidin-2-amine

N-(3,3-difluoropropyl)pyrimidin-2-amine (PubChem CID 131114276) has the molecular formula C7H9F2N3 and a molecular weight of 173.17 g/mol. Its IUPAC name is N-(3,3-difluoropropyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-(3,3-difluoropropyl)pyrimidin-2-amine
PubChem CID131114276
Molecular FormulaC7H9F2N3
Molecular Weight173.17 g/mol
Exact Mass173.08
IUPAC NameN-(3,3-difluoropropyl)pyrimidin-2-amine
SMILESFC(F)CCNc1ncccn1
InChIInChI=1S/C7H9F2N3/c8-6(9)2-5-12-7-10-3-1-4-11-7/h1,3-4,6H,2,5H2,(H,10,11,12)
InChIKeyJAQXCHZFLVSXAQ-UHFFFAOYSA-N
XLogP1.54
TPSA37.81 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds4
Heavy Atoms12
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500173.17
LogP ≤ 51.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Frequently Asked Questions

What is the IUPAC name of N-(3,3-difluoropropyl)pyrimidin-2-amine?
The IUPAC name of N-(3,3-difluoropropyl)pyrimidin-2-amine (CID 131114276) is N-(3,3-difluoropropyl)pyrimidin-2-amine.
What is the SMILES notation for N-(3,3-difluoropropyl)pyrimidin-2-amine?
The canonical SMILES for N-(3,3-difluoropropyl)pyrimidin-2-amine is FC(F)CCNc1ncccn1.
What is the InChIKey of N-(3,3-difluoropropyl)pyrimidin-2-amine?
The InChIKey is JAQXCHZFLVSXAQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C7H9F2N3/c8-6(9)2-5-12-7-10-3-1-4-11-7/h1,3-4,6H,2,5H2,(H,10,11,12).
What are the key properties of N-(3,3-difluoropropyl)pyrimidin-2-amine?
N-(3,3-difluoropropyl)pyrimidin-2-amine has a molecular weight of 173.17 g/mol, XLogP of 1.54, 4 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for N-(3,3-difluoropropyl)pyrimidin-2-amine is sourced from PubChem (CID 131114276), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).