N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

C14H19F3N4O — CID 133381110

IUPACN-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCN(C3CCOC3)CC2)n1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-1-5-18-13(20-12)19-10-2-6-21(7-3-10)11-4-8-22-9-11/h1,5,10-11H,2-4,6-9H2,(H,18,19,20)
InChIKeyPAJOGWYSWZGBRX-UHFFFAOYSA-N
MW316.33 g/mol
LogP2.16
Rot. Bonds3

About N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine

N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 133381110) has the molecular formula C14H19F3N4O and a molecular weight of 316.33 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
PubChem CID133381110
Molecular FormulaC14H19F3N4O
Molecular Weight316.33 g/mol
Exact Mass316.15
IUPAC NameN-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine
SMILESFC(F)(F)c1ccnc(NC2CCN(C3CCOC3)CC2)n1
InChIInChI=1S/C14H19F3N4O/c15-14(16,17)12-1-5-18-13(20-12)19-10-2-6-21(7-3-10)11-4-8-22-9-11/h1,5,10-11H,2-4,6-9H2,(H,18,19,20)
InChIKeyPAJOGWYSWZGBRX-UHFFFAOYSA-N
XLogP2.16
TPSA50.28 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.33
LogP ≤ 52.16
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine (CID 133381110) is N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is FC(F)(F)c1ccnc(NC2CCN(C3CCOC3)CC2)n1.
What is the InChIKey of N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is PAJOGWYSWZGBRX-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19F3N4O/c15-14(16,17)12-1-5-18-13(20-12)19-10-2-6-21(7-3-10)11-4-8-22-9-11/h1,5,10-11H,2-4,6-9H2,(H,18,19,20).
What are the key properties of N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine?
N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 316.33 g/mol, XLogP of 2.16, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)piperidin-4-yl]-4-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 133381110), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).