4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine

C19H22F3N5O — CID 133336067

IUPAC4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(CC3CCOC3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)16-10-17(25-18(24-16)15-2-1-4-23-11-15)27-7-5-26(6-8-27)12-14-3-9-28-13-14/h1-2,4,10-11,14H,3,5-9,12-13H2
InChIKeyRPAAUGRXGQSNMS-UHFFFAOYSA-N
MW393.41 g/mol
LogP2.72
Rot. Bonds4

About 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine

4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine (PubChem CID 133336067) has the molecular formula C19H22F3N5O and a molecular weight of 393.41 g/mol. Its IUPAC name is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine.

Molecular Properties

Compound Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
PubChem CID133336067
Molecular FormulaC19H22F3N5O
Molecular Weight393.41 g/mol
Exact Mass393.18
IUPAC Name4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
SMILESFC(F)(F)c1cc(N2CCN(CC3CCOC3)CC2)nc(-c2cccnc2)n1
InChIInChI=1S/C19H22F3N5O/c20-19(21,22)16-10-17(25-18(24-16)15-2-1-4-23-11-15)27-7-5-26(6-8-27)12-14-3-9-28-13-14/h1-2,4,10-11,14H,3,5-9,12-13H2
InChIKeyRPAAUGRXGQSNMS-UHFFFAOYSA-N
XLogP2.72
TPSA54.38 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500393.41
LogP ≤ 52.72
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

(3R)-3-methyl-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]morpholine
CID 95629224
1-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]pyrrolidine-3-carboxylic acid
CID 122048560
4-[4-(4-propan-2-yl-1,2,4-triazol-3-yl)piperidin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine
CID 133422902
1-methyl-2-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-3,4-dihydro-1H-isoquinoline
CID 133343923
1-(3-bromo-2-pyridinyl)-4-[[(3R)-oxolan-3-yl]methyl]piperazine
CID 124842283
4-methyl-2-pyridin-3-yl-6-[3-[(4-pyridin-2-ylpiperazin-1-yl)methyl]piperidin-1-yl]pyrimidine
CID 133279604
4-chloro-6-[4-(oxolan-3-ylmethyl)piperazin-1-yl]pyrimidin-2-amine
CID 133335948
2-[4-[[(3S)-oxolan-3-yl]methyl]piperazin-1-yl]-4-phenylpyrimidine
CID 124754745
2-methyl-4-[4-(pyridin-3-ylmethyl)piperazin-1-yl]-6-(trifluoromethyl)pyrimidine
CID 171326651
1-(2,3-dihydro-1,4-dioxine-5-carbonyl)-4-[2-pyridin-3-yl-6-(trifluoromethyl)pyrimidin-4-yl]-1,4,7-triazecan-8-one
CID 154784544
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-propan-2-ylpyrimidine
CID 136512880
4-[4-[1-(cyclopropylmethyl)piperidin-4-yl]piperidin-1-yl]-6-methyl-2-pyridin-3-ylpyrimidine;formic acid
CID 155940183

Frequently Asked Questions

What is the IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
The IUPAC name of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine (CID 133336067) is 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine.
What is the SMILES notation for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
The canonical SMILES for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine is FC(F)(F)c1cc(N2CCN(CC3CCOC3)CC2)nc(-c2cccnc2)n1.
What is the InChIKey of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
The InChIKey is RPAAUGRXGQSNMS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H22F3N5O/c20-19(21,22)16-10-17(25-18(24-16)15-2-1-4-23-11-15)27-7-5-26(6-8-27)12-14-3-9-28-13-14/h1-2,4,10-11,14H,3,5-9,12-13H2.
What are the key properties of 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine?
4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine has a molecular weight of 393.41 g/mol, XLogP of 2.72, 4 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[4-(oxolan-3-ylmethyl)piperazin-1-yl]-2-pyridin-3-yl-6-(trifluoromethyl)pyrimidine is sourced from PubChem (CID 133336067), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).