5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

C16H19F3N4O — CID 159079833

IUPAC5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Cc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-8(2)11-6-13(24-3)12(16(17,18)19)5-9(11)4-10-7-22-15(21)23-14(10)20/h5-8H,4H2,1-3H3,(H4,20,21,22,23)
InChIKeyNLYQXJUERSADND-UHFFFAOYSA-N
MW340.35 g/mol
LogP3.38
Rot. Bonds4

About 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine

5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (PubChem CID 159079833) has the molecular formula C16H19F3N4O and a molecular weight of 340.35 g/mol. Its IUPAC name is 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
PubChem CID159079833
Molecular FormulaC16H19F3N4O
Molecular Weight340.35 g/mol
Exact Mass340.15
IUPAC Name5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine
SMILESCOc1cc(C(C)C)c(Cc2cnc(N)nc2N)cc1C(F)(F)F
InChIInChI=1S/C16H19F3N4O/c1-8(2)11-6-13(24-3)12(16(17,18)19)5-9(11)4-10-7-22-15(21)23-14(10)20/h5-8H,4H2,1-3H3,(H4,20,21,22,23)
InChIKeyNLYQXJUERSADND-UHFFFAOYSA-N
XLogP3.38
TPSA87.05 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.35
LogP ≤ 53.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine 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-N-[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]pyrimidine-2,4,5-triamine
CID 130474374
5-[(2,4-diaminopyrimidin-5-yl)methyl]-2-methoxy-4-propan-2-ylbenzonitrile
CID 59598688
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-(2,2,2-trifluoroethyl)pyrimidine-2,4-diamine
CID 11660966
5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]-2-N-ethylpyrimidine-2,4-diamine
CID 59598757
5-[(1,3-dimethyl-6-propan-2-ylindol-5-yl)methyl]pyrimidine-2,4-diamine
CID 59598651
2-N-benzyl-5-[(4,5-dimethoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 11675544
5-[(4-amino-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine;dihydrochloride
CID 21280986
5-[(4-ethoxy-3,5-dimethoxyphenyl)methyl]pyrimidine-2,4-diamine
CID 12752253
5-[[3,5-dimethoxy-4-(2-methylpropoxy)phenyl]methyl]pyrimidine-2,4-diamine
CID 12752257
5-[[4,5-dimethoxy-2-(2-phenylpropyl)phenyl]methyl]pyrimidine-2,4-diamine
CID 69180694
5-[5-[(dimethylamino)methyl]-4-methoxy-2-propan-2-ylphenoxy]pyrimidine-2,4-diamine
CID 155471079
2-N-benzyl-5-[(5-chloro-4-methoxy-2-propan-2-ylphenyl)methyl]pyrimidine-2,4-diamine
CID 59598548

Frequently Asked Questions

What is the IUPAC name of 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The IUPAC name of 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine (CID 159079833) is 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine.
What is the SMILES notation for 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The canonical SMILES for 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is COc1cc(C(C)C)c(Cc2cnc(N)nc2N)cc1C(F)(F)F.
What is the InChIKey of 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
The InChIKey is NLYQXJUERSADND-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H19F3N4O/c1-8(2)11-6-13(24-3)12(16(17,18)19)5-9(11)4-10-7-22-15(21)23-14(10)20/h5-8H,4H2,1-3H3,(H4,20,21,22,23).
What are the key properties of 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine?
5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine has a molecular weight of 340.35 g/mol, XLogP of 3.38, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 5-[[4-methoxy-2-propan-2-yl-5-(trifluoromethyl)phenyl]methyl]pyrimidine-2,4-diamine is sourced from PubChem (CID 159079833), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).