4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

C6H6F3N3O — CID 90331357

IUPAC4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-13-4-3(6(7,8)9)2-11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyUIVFBCMJTBIHBC-UHFFFAOYSA-N
MW193.13 g/mol
LogP1.09
Rot. Bonds1

About 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine

4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (PubChem CID 90331357) has the molecular formula C6H6F3N3O and a molecular weight of 193.13 g/mol. Its IUPAC name is 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
PubChem CID90331357
Molecular FormulaC6H6F3N3O
Molecular Weight193.13 g/mol
Exact Mass193.05
IUPAC Name4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine
SMILESCOc1nc(N)ncc1C(F)(F)F
InChIInChI=1S/C6H6F3N3O/c1-13-4-3(6(7,8)9)2-11-5(10)12-4/h2H,1H3,(H2,10,11,12)
InChIKeyUIVFBCMJTBIHBC-UHFFFAOYSA-N
XLogP1.09
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds1
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500193.13
LogP ≤ 51.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

Pyrimidine, 2,4-diethoxy-5-methyl-
CID 81612
5-Methyl-4-(neopentyloxy)pyrimidin-2-amine
CID 122516792
4-Methoxy-2-pyrimidinamine
CID 67428
4-Methoxy-N-methyl-2-pyrimidinamine
CID 23422138
5-Iodo-2,4-dimethoxypyrimidine
CID 263416
2,4-Dimethoxy-5-methylpyrimidine
CID 579948
5-Bromo-4-methoxypyrimidine
CID 12270081
5-Bromo-2,4-dimethoxypyrimidine
CID 255719
(2,4-Dimethoxypyrimidin-5-yl)boronic acid
CID 2736209
2-Fluoro-4-methoxypyrimidine
CID 21791027
4-Methoxypyrimidine
CID 303830
2-Chloro-5-fluoro-4-methoxypyrimidine
CID 13530704

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The IUPAC name of 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine (CID 90331357) is 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine.
What is the SMILES notation for 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The canonical SMILES for 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is COc1nc(N)ncc1C(F)(F)F.
What is the InChIKey of 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
The InChIKey is UIVFBCMJTBIHBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C6H6F3N3O/c1-13-4-3(6(7,8)9)2-11-5(10)12-4/h2H,1H3,(H2,10,11,12).
What are the key properties of 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine?
4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine has a molecular weight of 193.13 g/mol, XLogP of 1.09, 1 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-5-(trifluoromethyl)pyrimidin-2-amine is sourced from PubChem (CID 90331357), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).