N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

C19H22F3N5O — CID 133381144

IUPACN-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(C3CCOC3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)16-11-17(26-18(25-16)13-1-6-23-7-2-13)24-14-3-8-27(9-4-14)15-5-10-28-12-15/h1-2,6-7,11,14-15H,3-5,8-10,12H2,(H,24,25,26)
InChIKeyOAGORSLMQTVKGJ-UHFFFAOYSA-N
MW393.41 g/mol
LogP3.22
Rot. Bonds4

About N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine

N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (PubChem CID 133381144) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.

Molecular Properties

Compound NameN-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
PubChem CID133381144
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC NameN-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
SMILESFC(F)(F)c1cc(NC2CCN(C3CCOC3)CC2)nc(-c2ccncc2)n1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)16-11-17(26-18(25-16)13-1-6-23-7-2-13)24-14-3-8-27(9-4-14)15-5-10-28-12-15/h1-2,6-7,11,14-15H,3-5,8-10,12H2,(H,24,25,26)
InChIKeyOAGORSLMQTVKGJ-UHFFFAOYSA-N
XLogP3.22
TPSA63.17 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 53.22
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The IUPAC name of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine (CID 133381144) is N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine.
What is the SMILES notation for N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The canonical SMILES for N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is FC(F)(F)c1cc(NC2CCN(C3CCOC3)CC2)nc(-c2ccncc2)n1.
What is the InChIKey of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
The InChIKey is OAGORSLMQTVKGJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)16-11-17(26-18(25-16)13-1-6-23-7-2-13)24-14-3-8-27(9-4-14)15-5-10-28-12-15/h1-2,6-7,11,14-15H,3-5,8-10,12H2,(H,24,25,26).
What are the key properties of N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine?
N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine has a molecular weight of 393.41 g/mol, XLogP of 3.22, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[1-(oxolan-3-yl)piperidin-4-yl]-2-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine is sourced from PubChem (CID 133381144), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).