5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

C15H17F3N4O3 — CID 10948314

IUPAC5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(-c2nc(N)nc(N)c2CC(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C15H17F3N4O3/c1-23-9-4-7(5-10(24-2)12(9)25-3)11-8(6-15(16,17)18)13(19)22-14(20)21-11/h4-5H,6H2,1-3H3,(H4,19,20,21,22)
InChIKeyHTYQFDISEDJEES-UHFFFAOYSA-N
MW358.32 g/mol
LogP2.44
Rot. Bonds5

About 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine

5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (PubChem CID 10948314) has the molecular formula C15H17F3N4O3 and a molecular weight of 358.32 g/mol. Its IUPAC name is 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.

Molecular Properties

Compound Name5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
PubChem CID10948314
Molecular FormulaC15H17F3N4O3
Molecular Weight358.32 g/mol
Exact Mass358.13
IUPAC Name5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine
SMILESCOc1cc(-c2nc(N)nc(N)c2CC(F)(F)F)cc(OC)c1OC
InChIInChI=1S/C15H17F3N4O3/c1-23-9-4-7(5-10(24-2)12(9)25-3)11-8(6-15(16,17)18)13(19)22-14(20)21-11/h4-5H,6H2,1-3H3,(H4,19,20,21,22)
InChIKeyHTYQFDISEDJEES-UHFFFAOYSA-N
XLogP2.44
TPSA105.51 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500358.32
LogP ≤ 52.44
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

2,4-diamino-6-(3-fluoro-4,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169398230
2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2,6-dimethoxyphenoxy]acetic acid
CID 169397522
2,4-diamino-6-(4-bromo-3,5-dimethoxyphenyl)pyrimidine-5-carbonitrile
CID 169396166
4-(3,4,5-trimethoxyphenyl)pyridine-2,6-diamine;hydrochloride
CID 53381610
2,4-diamino-6-(3-bromo-5-methoxy-4-propoxyphenyl)pyrimidine-5-carbonitrile
CID 169397650
2,4-diamino-6-(4-butoxy-3-iodo-5-methoxyphenyl)pyrimidine-5-carbonitrile
CID 169398080
6-[3,5-dimethoxy-4-(2,2,2-trifluoroethoxy)phenyl]pyridin-3-amine
CID 22485528
(1S)-2,2,2-trifluoro-1-(3,4,5-trimethoxyphenyl)ethanamine
CID 66512237
3-ethyl-2-methyl-5-(3,4,5-trimethoxyphenyl)imidazol-4-amine
CID 62225022
4,6-dichloro-5-[(3,4,5-trimethoxyphenyl)methyl]pyrimidin-2-amine
CID 12655207
6-methyl-5-[(3S)-3-(3,4,5-trimethoxyphenyl)pent-1-ynyl]pyrimidine-2,4-diamine
CID 45482183
2-[4-(2,6-diamino-5-cyanopyrimidin-4-yl)-2-iodo-6-methoxyphenoxy]acetic acid
CID 169398081

Frequently Asked Questions

What is the IUPAC name of 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The IUPAC name of 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine (CID 10948314) is 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine.
What is the SMILES notation for 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The canonical SMILES for 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is COc1cc(-c2nc(N)nc(N)c2CC(F)(F)F)cc(OC)c1OC.
What is the InChIKey of 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
The InChIKey is HTYQFDISEDJEES-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H17F3N4O3/c1-23-9-4-7(5-10(24-2)12(9)25-3)11-8(6-15(16,17)18)13(19)22-14(20)21-11/h4-5H,6H2,1-3H3,(H4,19,20,21,22).
What are the key properties of 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine?
5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine has a molecular weight of 358.32 g/mol, XLogP of 2.44, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 5-(2,2,2-trifluoroethyl)-6-(3,4,5-trimethoxyphenyl)pyrimidine-2,4-diamine is sourced from PubChem (CID 10948314), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).