2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine

C9H12F3N3O — CID 105495722

IUPAC2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCOc1nc(C)nc(C(F)(F)F)c1CCN
InChIInChI=1S/C9H12F3N3O/c1-5-14-7(9(10,11)12)6(3-4-13)8(15-5)16-2/h3-4,13H2,1-2H3
InChIKeyZPINREOJKNMLPS-UHFFFAOYSA-N
MW235.21 g/mol
LogP1.31
Rot. Bonds3

About 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine

2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine (PubChem CID 105495722) has the molecular formula C9H12F3N3O and a molecular weight of 235.21 g/mol. Its IUPAC name is 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine.

Molecular Properties

Compound Name2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine
PubChem CID105495722
Molecular FormulaC9H12F3N3O
Molecular Weight235.21 g/mol
Exact Mass235.09
IUPAC Name2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine
SMILESCOc1nc(C)nc(C(F)(F)F)c1CCN
InChIInChI=1S/C9H12F3N3O/c1-5-14-7(9(10,11)12)6(3-4-13)8(15-5)16-2/h3-4,13H2,1-2H3
InChIKeyZPINREOJKNMLPS-UHFFFAOYSA-N
XLogP1.31
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.21
LogP ≤ 51.31
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

5-Ethyl-4-methyl-6-(2,2,3,3-tetrafluoropropoxy)pyrimidin-2-amine
CID 755539
5-(2-Fluoroethyl)-2,4-dimethoxy-6-methylpyrimidine
CID 46885008
2-Chloro-5-(2-fluoroethyl)-4-methoxy-6-methylpyrimidine
CID 46885009
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine
CID 18456522
4-methoxy-2-(trifluoromethyl)-6,7-dihydro-5H-pyrrolo[3,4-d]pyrimidine
CID 115031086
4-(Difluoromethoxy)-2-methyl-5,6,7,8-tetrahydropyrido[4,3-d]pyrimidine
CID 117678140
4-Methoxy-2-propan-2-yl-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138635934
2-Cyclopropyl-4-methoxy-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;2,2,2-trifluoroacetic acid
CID 138636045
4-Methoxy-2-(trifluoromethyl)-5,6,7,8-tetrahydropyrido[3,4-d]pyrimidine;hydrochloride
CID 140041721
2-[2-Cyclopropyl-4-ethyl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
CID 143219149
2-ethyl-4-(2,2,2-trifluoroethoxy)-6,7,8,9-tetrahydro-5H-pyrimido[4,5-d]azepine
CID 143219183
2-[2-Cyclopropyl-4-propan-2-yl-6-(3,3,3-trifluoropropoxy)pyrimidin-5-yl]ethanamine
CID 143219206

Frequently Asked Questions

What is the IUPAC name of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The IUPAC name of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine (CID 105495722) is 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine.
What is the SMILES notation for 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The canonical SMILES for 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine is COc1nc(C)nc(C(F)(F)F)c1CCN.
What is the InChIKey of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
The InChIKey is ZPINREOJKNMLPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H12F3N3O/c1-5-14-7(9(10,11)12)6(3-4-13)8(15-5)16-2/h3-4,13H2,1-2H3.
What are the key properties of 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine?
2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine has a molecular weight of 235.21 g/mol, XLogP of 1.31, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[4-methoxy-2-methyl-6-(trifluoromethyl)pyrimidin-5-yl]ethanamine is sourced from PubChem (CID 105495722), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).