5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

C18H22F3N5O — CID 117092137

IUPAC5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1NCCN1CCOCC1
InChIInChI=1S/C18H22F3N5O/c1-13-12-23-17(24-15-4-2-14(3-5-15)18(19,20)21)25-16(13)22-6-7-26-8-10-27-11-9-26/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25)
InChIKeyDMVYDTTWJQOFLA-UHFFFAOYSA-N
MW381.40 g/mol
LogP3.29
Rot. Bonds6

About 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine

5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (PubChem CID 117092137) has the molecular formula C18H22F3N5O and a molecular weight of 381.40 g/mol. Its IUPAC name is 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
PubChem CID117092137
Molecular FormulaC18H22F3N5O
Molecular Weight381.40 g/mol
Exact Mass381.18
IUPAC Name5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine
SMILESCc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1NCCN1CCOCC1
InChIInChI=1S/C18H22F3N5O/c1-13-12-23-17(24-15-4-2-14(3-5-15)18(19,20)21)25-16(13)22-6-7-26-8-10-27-11-9-26/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25)
InChIKeyDMVYDTTWJQOFLA-UHFFFAOYSA-N
XLogP3.29
TPSA62.31 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500381.40
LogP ≤ 53.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

2-N-(3,4-dichlorophenyl)-4-N-(2-morpholin-4-ylethyl)-5-(trifluoromethyl)pyrimidine-2,4-diamine
CID 21080474
5-methyl-2-N-(4-morpholin-4-ylphenyl)-4-N-[[3-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 117086891
1-[3-[[5-methyl-2-(4-morpholin-4-ylanilino)pyrimidin-4-yl]amino]propyl]pyrrolidin-2-one
CID 117090981
6-N-(2-morpholin-4-ylethyl)-9-thiophen-3-yl-2-N-[4-(trifluoromethyl)phenyl]purine-2,6-diamine
CID 117080037
6-N-(3-morpholin-4-ylpropyl)-4-N-[4-(trifluoromethyl)phenyl]pyrimidine-4,5,6-triamine
CID 19143972
5-methyl-4-N-(3-morpholin-4-ylpropyl)-2-N-propylpyrimidine-2,4-diamine
CID 80773073
2-N-(1,3-benzodioxol-5-ylmethyl)-5-methyl-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 117088626
5-N-(3-morpholin-4-ylpropyl)-7-N-[4-(trifluoromethyl)phenyl]-[1,3]thiazolo[5,4-d]pyrimidine-2,5,7-triamine
CID 143604311
4-N-(4-tert-butylphenyl)-6-methyl-2-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112913356
N-[6-(2-morpholin-4-ylethylamino)-3-pyridinyl]-4-(trifluoromethyl)benzamide
CID 113010875
2-N-(3,4-dimethylphenyl)-4-N-(2-morpholin-4-ylethyl)pyrimidine-2,4-diamine
CID 112887341
4-N-(4-methylphenyl)-6-N-(2-morpholin-4-ylethyl)pyrimidine-4,5,6-triamine
CID 19148640

Frequently Asked Questions

What is the IUPAC name of 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine (CID 117092137) is 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is Cc1cnc(Nc2ccc(C(F)(F)F)cc2)nc1NCCN1CCOCC1.
What is the InChIKey of 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
The InChIKey is DMVYDTTWJQOFLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H22F3N5O/c1-13-12-23-17(24-15-4-2-14(3-5-15)18(19,20)21)25-16(13)22-6-7-26-8-10-27-11-9-26/h2-5,12H,6-11H2,1H3,(H2,22,23,24,25).
What are the key properties of 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine?
5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine has a molecular weight of 381.40 g/mol, XLogP of 3.29, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 5-methyl-4-N-(2-morpholin-4-ylethyl)-2-N-[4-(trifluoromethyl)phenyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 117092137), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).