5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine

C14H21F2N5 — CID 58228215

IUPAC5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine
SMILESNCC(c1cnc(NC2CC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N5/c15-14(16)3-5-21(6-4-14)12(7-17)10-8-18-13(19-9-10)20-11-1-2-11/h8-9,11-12H,1-7,17H2,(H,18,19,20)
InChIKeyIGOMGLZRGVJPBA-UHFFFAOYSA-N
MW297.35 g/mol
LogP1.78
Rot. Bonds5

About 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine

5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine (PubChem CID 58228215) has the molecular formula C14H21F2N5 and a molecular weight of 297.35 g/mol. Its IUPAC name is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine.

Molecular Properties

Compound Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine
PubChem CID58228215
Molecular FormulaC14H21F2N5
Molecular Weight297.35 g/mol
Exact Mass297.18
IUPAC Name5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine
SMILESNCC(c1cnc(NC2CC2)nc1)N1CCC(F)(F)CC1
InChIInChI=1S/C14H21F2N5/c15-14(16)3-5-21(6-4-14)12(7-17)10-8-18-13(19-9-10)20-11-1-2-11/h8-9,11-12H,1-7,17H2,(H,18,19,20)
InChIKeyIGOMGLZRGVJPBA-UHFFFAOYSA-N
XLogP1.78
TPSA67.07 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500297.35
LogP ≤ 51.78
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine?
The IUPAC name of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine (CID 58228215) is 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine.
What is the SMILES notation for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine?
The canonical SMILES for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine is NCC(c1cnc(NC2CC2)nc1)N1CCC(F)(F)CC1.
What is the InChIKey of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine?
The InChIKey is IGOMGLZRGVJPBA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H21F2N5/c15-14(16)3-5-21(6-4-14)12(7-17)10-8-18-13(19-9-10)20-11-1-2-11/h8-9,11-12H,1-7,17H2,(H,18,19,20).
What are the key properties of 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine?
5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine has a molecular weight of 297.35 g/mol, XLogP of 1.78, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[2-amino-1-(4,4-difluoropiperidin-1-yl)ethyl]-N-cyclopropylpyrimidin-2-amine is sourced from PubChem (CID 58228215), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).