6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine

C17H21F3N6O — CID 117094602

IUPAC6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
SMILESNc1nc(NCCN2CCOCC2)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H21F3N6O/c18-17(19,20)12-1-3-13(4-2-12)23-15-11-14(24-16(21)25-15)22-5-6-26-7-9-27-10-8-26/h1-4,11H,5-10H2,(H4,21,22,23,24,25)
InChIKeyYVIOJNDJHLYMOH-UHFFFAOYSA-N
MW382.39 g/mol
LogP2.57
Rot. Bonds6

About 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine

6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine (PubChem CID 117094602) has the molecular formula C17H21F3N6O and a molecular weight of 382.39 g/mol. Its IUPAC name is 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine.

Molecular Properties

Compound Name6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
PubChem CID117094602
Molecular FormulaC17H21F3N6O
Molecular Weight382.39 g/mol
Exact Mass382.17
IUPAC Name6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine
SMILESNc1nc(NCCN2CCOCC2)cc(Nc2ccc(C(F)(F)F)cc2)n1
InChIInChI=1S/C17H21F3N6O/c18-17(19,20)12-1-3-13(4-2-12)23-15-11-14(24-16(21)25-15)22-5-6-26-7-9-27-10-8-26/h1-4,11H,5-10H2,(H4,21,22,23,24,25)
InChIKeyYVIOJNDJHLYMOH-UHFFFAOYSA-N
XLogP2.57
TPSA88.33 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500382.39
LogP ≤ 52.57
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine with MolForge

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Related Compounds

Gdc-0349
CID 59239165
4-(Morpholin-4-Yl)-6-[4-(Trifluoromethyl)phenyl]pyrimidin-2-Amine
CID 75815439
N-{(3s)-1-[2-(Methylamino)pyrimidin-4-Yl]pyrrolidin-3-Yl}-N'-{4-[(Morpholin-4-Yl)methyl]-3-(Trifluoromethyl)phenyl}urea
CID 117995570
N-(3-chloro-4-methylphenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921268
N-(2-(4-Morpholinyl)ethyl)-2-phenyl-4-quinazolinamine
CID 675240
N-benzyl-2-morpholinopyrimidin-4-amine
CID 46891015
2-(2-hydroxyethylamino)-9-isopropylpurine core C6-substituents, 51
CID 51049525
N-(3-fluorophenyl)-6-methyl-2-(morpholin-4-yl)pyrimidin-4-amine
CID 921801
4-(4-Morpholinyl)benzaldehyde (4,6-dimethyl-2-pyrimidinyl)hydrazone
CID 5345051
N-(2,4-dimethylphenyl)-6-methyl-2-(4-morpholinyl)-4-pyrimidinamine
CID 697257
4-(2-Phenyl-6-trifluoromethyl-pyrimidin-4-yl)-morpholine
CID 796071
(2Z)-2-[(4-methylphenyl)imino]-6-(morpholin-4-yl)-5-nitro-1,2-dihydropyrimidin-4-amine
CID 4370425

Frequently Asked Questions

What is the IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
The IUPAC name of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine (CID 117094602) is 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine.
What is the SMILES notation for 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
The canonical SMILES for 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine is Nc1nc(NCCN2CCOCC2)cc(Nc2ccc(C(F)(F)F)cc2)n1.
What is the InChIKey of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
The InChIKey is YVIOJNDJHLYMOH-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21F3N6O/c18-17(19,20)12-1-3-13(4-2-12)23-15-11-14(24-16(21)25-15)22-5-6-26-7-9-27-10-8-26/h1-4,11H,5-10H2,(H4,21,22,23,24,25).
What are the key properties of 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine?
6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine has a molecular weight of 382.39 g/mol, XLogP of 2.57, 6 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-N-(2-morpholin-4-ylethyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4,6-triamine is sourced from PubChem (CID 117094602), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).