2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde

C19H18F5N5O2 — CID 130384913

IUPAC2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC(c2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)c(F)c2F)C1
InChIInChI=1S/C19H18F5N5O2/c20-15-11(14-8-29(9-30)5-6-31-14)3-4-13(16(15)21)27-18-25-7-12(19(22,23)24)17(28-18)26-10-1-2-10/h3-4,7,9-10,14H,1-2,5-6,8H2,(H2,25,26,27,28)
InChIKeyRJHRWPSFCZVZAS-UHFFFAOYSA-N
MW443.38 g/mol
LogP3.62
Rot. Bonds6

About 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde

2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde (PubChem CID 130384913) has the molecular formula C19H18F5N5O2 and a molecular weight of 443.38 g/mol. Its IUPAC name is 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde.

Molecular Properties

Compound Name2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde
PubChem CID130384913
Molecular FormulaC19H18F5N5O2
Molecular Weight443.38 g/mol
Exact Mass443.14
IUPAC Name2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde
SMILESO=CN1CCOC(c2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)c(F)c2F)C1
InChIInChI=1S/C19H18F5N5O2/c20-15-11(14-8-29(9-30)5-6-31-14)3-4-13(16(15)21)27-18-25-7-12(19(22,23)24)17(28-18)26-10-1-2-10/h3-4,7,9-10,14H,1-2,5-6,8H2,(H2,25,26,27,28)
InChIKeyRJHRWPSFCZVZAS-UHFFFAOYSA-N
XLogP3.62
TPSA79.38 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500443.38
LogP ≤ 53.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

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

Analyze 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde 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

2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]morpholine-4-carbaldehyde
CID 130384848
2-[2-chloro-5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]morpholine-4-carbaldehyde
CID 130384835
2-[5-ethoxy-4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2-fluorophenyl]morpholine-4-carbaldehyde
CID 121248665
2-[2-methoxy-5-methyl-4-[[4-(methylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]morpholine-4-carbaldehyde
CID 130384870
2-[4-[[4-(ethylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-5-methoxy-2-methylphenyl]morpholine-4-carbaldehyde
CID 130384934
2-[4-[[5-fluoro-4-(methylamino)pyrimidin-2-yl]amino]-3-methoxyphenyl]morpholine-4-carbaldehyde
CID 121248655
2-[4-[[5-chloro-4-(ethylamino)pyrimidin-2-yl]amino]-2-fluoro-5-methoxyphenyl]morpholine-4-carbaldehyde
CID 121248727
2-chloro-N-cyclopropyl-5-(trifluoromethyl)pyrimidin-4-amine;4-N-cyclopropyl-2-N-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 118905687
2-[1-[4-fluoro-3-(trifluoromethyl)anilino]-5-methylisoquinolin-4-yl]morpholine-4-carbaldehyde
CID 57411007
4-N-cyclopropyl-2-N-(1-cyclopropylindazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 171597579
4-N-cyclopropyl-2-N-(5-methyl-1H-pyrazol-4-yl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 141336716
4-N-cyclopropyl-2-N-[2-methanimidoyl-3-(2-morpholin-4-ylethylamino)phenyl]-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 174321388

Frequently Asked Questions

What is the IUPAC name of 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde?
The IUPAC name of 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde (CID 130384913) is 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde.
What is the SMILES notation for 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde?
The canonical SMILES for 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde is O=CN1CCOC(c2ccc(Nc3ncc(C(F)(F)F)c(NC4CC4)n3)c(F)c2F)C1.
What is the InChIKey of 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde?
The InChIKey is RJHRWPSFCZVZAS-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H18F5N5O2/c20-15-11(14-8-29(9-30)5-6-31-14)3-4-13(16(15)21)27-18-25-7-12(19(22,23)24)17(28-18)26-10-1-2-10/h3-4,7,9-10,14H,1-2,5-6,8H2,(H2,25,26,27,28).
What are the key properties of 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde?
2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde has a molecular weight of 443.38 g/mol, XLogP of 3.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-[[4-(cyclopropylamino)-5-(trifluoromethyl)pyrimidin-2-yl]amino]-2,3-difluorophenyl]morpholine-4-carbaldehyde is sourced from PubChem (CID 130384913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).