5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine

C13H15F2N7 — CID 118468930

IUPAC5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnc(N3CCC(F)(F)CC3)nc2N)n1
InChIInChI=1S/C13H15F2N7/c14-13(15)2-5-22(6-3-13)12-19-7-8(10(17)21-12)11-18-4-1-9(16)20-11/h1,4,7H,2-3,5-6H2,(H2,16,18,20)(H2,17,19,21)
InChIKeySWXFPWOWMNMHQU-UHFFFAOYSA-N
MW307.31 g/mol
LogP1.33
Rot. Bonds2

About 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine

5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine (PubChem CID 118468930) has the molecular formula C13H15F2N7 and a molecular weight of 307.31 g/mol. Its IUPAC name is 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine.

Molecular Properties

Compound Name5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
PubChem CID118468930
Molecular FormulaC13H15F2N7
Molecular Weight307.31 g/mol
Exact Mass307.14
IUPAC Name5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine
SMILESNc1ccnc(-c2cnc(N3CCC(F)(F)CC3)nc2N)n1
InChIInChI=1S/C13H15F2N7/c14-13(15)2-5-22(6-3-13)12-19-7-8(10(17)21-12)11-18-4-1-9(16)20-11/h1,4,7H,2-3,5-6H2,(H2,16,18,20)(H2,17,19,21)
InChIKeySWXFPWOWMNMHQU-UHFFFAOYSA-N
XLogP1.33
TPSA106.84 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.31
LogP ≤ 51.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
The IUPAC name of 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine (CID 118468930) is 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine.
What is the SMILES notation for 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
The canonical SMILES for 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine is Nc1ccnc(-c2cnc(N3CCC(F)(F)CC3)nc2N)n1.
What is the InChIKey of 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
The InChIKey is SWXFPWOWMNMHQU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15F2N7/c14-13(15)2-5-22(6-3-13)12-19-7-8(10(17)21-12)11-18-4-1-9(16)20-11/h1,4,7H,2-3,5-6H2,(H2,16,18,20)(H2,17,19,21).
What are the key properties of 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine?
5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine has a molecular weight of 307.31 g/mol, XLogP of 1.33, 2 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(4-aminopyrimidin-2-yl)-2-(4,4-difluoropiperidin-1-yl)pyrimidin-4-amine is sourced from PubChem (CID 118468930), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).