1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea

C15H20F3N5O2S — CID 100778364

IUPAC1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
SMILESFC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C15H20F3N5O2S/c16-15(17,18)11-8-12(23-3-6-24-7-4-23)21-13(20-11)22-14(26)19-9-10-2-1-5-25-10/h8,10H,1-7,9H2,(H2,19,20,21,22,26)/t10-/m0/s1
InChIKeyDPLAHKZBFRTWHM-JTQLQIEISA-N
MW391.42 g/mol
LogP1.80
Rot. Bonds4

About 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea

1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea (PubChem CID 100778364) has the molecular formula C15H20F3N5O2S and a molecular weight of 391.42 g/mol. Its IUPAC name is 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea.

Molecular Properties

Compound Name1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
PubChem CID100778364
Molecular FormulaC15H20F3N5O2S
Molecular Weight391.42 g/mol
Exact Mass391.13
IUPAC Name1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea
SMILESFC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1
InChIInChI=1S/C15H20F3N5O2S/c16-15(17,18)11-8-12(23-3-6-24-7-4-23)21-13(20-11)22-14(26)19-9-10-2-1-5-25-10/h8,10H,1-7,9H2,(H2,19,20,21,22,26)/t10-/m0/s1
InChIKeyDPLAHKZBFRTWHM-JTQLQIEISA-N
XLogP1.80
TPSA71.54 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500391.42
LogP ≤ 51.80
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Thiocarbonyl_group', 'substructure': 'N/A'}

Analyze 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea 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

1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]-N-(tetrahydrofuran-2-ylmethyl)piperidine-4-carboxamide
CID 91809782
N-[1-[2-methyl-6-(trifluoromethyl)pyrimidin-4-yl]piperidin-4-yl]oxolane-2-carboxamide
CID 91919284
3-(2-Chloro-6-trifluoromethyl-pyrimidin-4-yl)-8-oxa-3-aza-bicyclo[3.2.1]octane
CID 86665901
2-Morpholin-4-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 172310873
N,6-dimethyl-2-[2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 56866989
2-N-[4-(2,6-dimethylmorpholin-4-yl)butyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 71857709
4-N,4-N-dimethyl-2-N-(7-oxabicyclo[2.2.1]heptan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 75379854
2-chloro-N-(oxolan-2-ylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 82460863
1,5-anhydro-2,3-dideoxy-4-O-(2-hydroxyethyl)-3-{[2-pyrrolidin-1-yl-6-(trifluoromethyl)pyrimidin-4-yl]amino}-D-threo-pentitol
CID 91783061
N,6-dimethyl-2-[(2S)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 95528039
N,6-dimethyl-2-[(2R)-2-(trifluoromethyl)morpholin-4-yl]pyrimidin-4-amine
CID 95528041
2-N-[4-[(2R,6S)-2,6-dimethylmorpholin-4-yl]butyl]-4-N,4-N-dimethyl-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 96536326

Frequently Asked Questions

What is the IUPAC name of 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
The IUPAC name of 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea (CID 100778364) is 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea.
What is the SMILES notation for 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
The canonical SMILES for 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea is FC(F)(F)c1cc(N2CCOCC2)nc(NC(=S)NC[C@@H]2CCCO2)n1.
What is the InChIKey of 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
The InChIKey is DPLAHKZBFRTWHM-JTQLQIEISA-N. The full InChI is InChI=1S/C15H20F3N5O2S/c16-15(17,18)11-8-12(23-3-6-24-7-4-23)21-13(20-11)22-14(26)19-9-10-2-1-5-25-10/h8,10H,1-7,9H2,(H2,19,20,21,22,26)/t10-/m0/s1.
What are the key properties of 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea?
1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea has a molecular weight of 391.42 g/mol, XLogP of 1.80, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-morpholin-4-yl-6-(trifluoromethyl)pyrimidin-2-yl]-3-[[(2S)-oxolan-2-yl]methyl]thiourea is sourced from PubChem (CID 100778364), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).