2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine

C14H13Cl3N4O — CID 11508758

IUPAC2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H13Cl3N4O/c15-8-5-9(12(17)11(16)6-8)10-7-19-14(20-13(10)18)21-1-3-22-4-2-21/h5-7H,1-4H2,(H2,18,19,20)
InChIKeyOQSAPRWJHNXIPB-UHFFFAOYSA-N
MW359.64 g/mol
LogP3.52
Rot. Bonds2

About 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine

2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine (PubChem CID 11508758) has the molecular formula C14H13Cl3N4O and a molecular weight of 359.64 g/mol. Its IUPAC name is 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
PubChem CID11508758
Molecular FormulaC14H13Cl3N4O
Molecular Weight359.64 g/mol
Exact Mass358.02
IUPAC Name2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine
SMILESNc1nc(N2CCOCC2)ncc1-c1cc(Cl)cc(Cl)c1Cl
InChIInChI=1S/C14H13Cl3N4O/c15-8-5-9(12(17)11(16)6-8)10-7-19-14(20-13(10)18)21-1-3-22-4-2-21/h5-7H,1-4H2,(H2,18,19,20)
InChIKeyOQSAPRWJHNXIPB-UHFFFAOYSA-N
XLogP3.52
TPSA64.27 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500359.64
LogP ≤ 53.52
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'halogenated_ring_1', 'substructure': 'N/A'}

Analyze 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine 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

5-(2-bromophenyl)-2-morpholin-4-ylpyrimidin-4-amine
CID 62900378
4-chloro-2-(4-methyl-2-morpholin-4-ylpyrimidin-5-yl)phenol
CID 174507871
5-(3,5-dichlorophenyl)-6-methyl-2-morpholin-4-ylpyrimidin-4-amine
CID 22360304
4-[5-chloro-4-(3-methylbutan-2-yl)pyrimidin-2-yl]morpholine
CID 146521751
2-chloro-5-morpholin-4-ylpyrimidin-4-amine
CID 177269263
5-bromo-2-chloropyrimidin-4-amine;5-bromo-2-morpholin-4-ylpyrimidin-4-amine;morpholine
CID 159059170
8-chloro-2-morpholin-4-ylquinazoline-6-carbaldehyde
CID 170708206
N-[3-(4-amino-2-morpholin-4-ylpyrimidin-5-yl)phenyl]methanesulfonamide
CID 66630757
4-(5-chloropyrimidin-2-yl)-1,4-oxazepane
CID 134160397
(4-chloro-2-morpholin-4-ylpyrimidin-5-yl)-trimethylsilane
CID 132918077
(7R)-7-(3-chlorophenyl)-2-morpholin-4-yl-7,8-dihydro-6H-quinazolin-5-one
CID 7174856
5-chloro-2-morpholin-4-ylpyridin-3-amine
CID 80503744

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine?
The IUPAC name of 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine (CID 11508758) is 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine.
What is the SMILES notation for 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine?
The canonical SMILES for 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine is Nc1nc(N2CCOCC2)ncc1-c1cc(Cl)cc(Cl)c1Cl.
What is the InChIKey of 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine?
The InChIKey is OQSAPRWJHNXIPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H13Cl3N4O/c15-8-5-9(12(17)11(16)6-8)10-7-19-14(20-13(10)18)21-1-3-22-4-2-21/h5-7H,1-4H2,(H2,18,19,20).
What are the key properties of 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine?
2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine has a molecular weight of 359.64 g/mol, XLogP of 3.52, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-5-(2,3,5-trichlorophenyl)pyrimidin-4-amine is sourced from PubChem (CID 11508758), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).