N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine

C11H13F5N4 — CID 134542360

IUPACN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C11H13F5N4/c12-10(13)6-17-2-1-7(10)3-18-9-19-4-8(5-20-9)11(14,15)16/h4-5,7,17H,1-3,6H2,(H,18,19,20)/t7-/m1/s1
InChIKeyMIGQCUIVSRERGE-SSDOTTSWSA-N
MW296.24 g/mol
LogP2.15
Rot. Bonds3

About N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine

N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 134542360) has the molecular formula C11H13F5N4 and a molecular weight of 296.24 g/mol. Its IUPAC name is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID134542360
Molecular FormulaC11H13F5N4
Molecular Weight296.24 g/mol
Exact Mass296.11
IUPAC NameN-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1cnc(NC[C@H]2CCNCC2(F)F)nc1
InChIInChI=1S/C11H13F5N4/c12-10(13)6-17-2-1-7(10)3-18-9-19-4-8(5-20-9)11(14,15)16/h4-5,7,17H,1-3,6H2,(H,18,19,20)/t7-/m1/s1
InChIKeyMIGQCUIVSRERGE-SSDOTTSWSA-N
XLogP2.15
TPSA49.84 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500296.24
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine (CID 134542360) is N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1cnc(NC[C@H]2CCNCC2(F)F)nc1.
What is the InChIKey of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is MIGQCUIVSRERGE-SSDOTTSWSA-N. The full InChI is InChI=1S/C11H13F5N4/c12-10(13)6-17-2-1-7(10)3-18-9-19-4-8(5-20-9)11(14,15)16/h4-5,7,17H,1-3,6H2,(H,18,19,20)/t7-/m1/s1.
What are the key properties of N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine?
N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 296.24 g/mol, XLogP of 2.15, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[[(4R)-3,3-difluoropiperidin-4-yl]methyl]-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 134542360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).