N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

C13H13F3N4O — CID 114563476

IUPACN-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccnc(OC)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-3-17-12-19-9(7-10(20-12)13(14,15)16)8-4-5-18-11(6-8)21-2/h4-7H,3H2,1-2H3,(H,17,19,20)
InChIKeyGOGRVOZXAHURAA-UHFFFAOYSA-N
MW298.27 g/mol
LogP3.00
Rot. Bonds4

About N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine

N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 114563476) has the molecular formula C13H13F3N4O and a molecular weight of 298.27 g/mol. Its IUPAC name is N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound NameN-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
PubChem CID114563476
Molecular FormulaC13H13F3N4O
Molecular Weight298.27 g/mol
Exact Mass298.10
IUPAC NameN-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine
SMILESCCNc1nc(-c2ccnc(OC)c2)cc(C(F)(F)F)n1
InChIInChI=1S/C13H13F3N4O/c1-3-17-12-19-9(7-10(20-12)13(14,15)16)8-4-5-18-11(6-8)21-2/h4-7H,3H2,1-2H3,(H,17,19,20)
InChIKeyGOGRVOZXAHURAA-UHFFFAOYSA-N
XLogP3.00
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.27
LogP ≤ 53.00
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-(4-ethylphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821862
N-propyl-4-pyridin-4-yl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563224
2-[2-(ethylamino)-6-(trifluoromethyl)pyrimidin-4-yl]oxyethanol
CID 114566256
N-ethyl-4-(2-fluorophenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563258
N-ethyl-4-(1-ethylpyrazol-4-yl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 44821865
4-(4-chloro-2-fluorophenyl)-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114563418
N-[(4-fluorophenyl)methyl]-4-(3-methoxyphenyl)-6-(trifluoromethyl)pyrimidin-2-amine
CID 15987740
4-(2-methoxy-4-pyridinyl)-N-pyrimidin-2-ylpyrimidin-2-amine
CID 170970741
N-ethyl-4-(2-iodophenoxy)-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566398
N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
4-[(E)-but-2-enoxy]-N-ethyl-6-(trifluoromethyl)pyrimidin-2-amine
CID 114566455
3-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrazin-2-amine
CID 156809050

Frequently Asked Questions

What is the IUPAC name of N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine (CID 114563476) is N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is CCNc1nc(-c2ccnc(OC)c2)cc(C(F)(F)F)n1.
What is the InChIKey of N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is GOGRVOZXAHURAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H13F3N4O/c1-3-17-12-19-9(7-10(20-12)13(14,15)16)8-4-5-18-11(6-8)21-2/h4-7H,3H2,1-2H3,(H,17,19,20).
What are the key properties of N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine?
N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 298.27 g/mol, XLogP of 3.00, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-4-(2-methoxy-4-pyridinyl)-6-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 114563476), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).