4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine

C8H10F3N3O — CID 58257072

IUPAC4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
SMILESCc1cc(OC(C)C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H10F3N3O/c1-4-3-6(14-7(12)13-4)15-5(2)8(9,10)11/h3,5H,1-2H3,(H2,12,13,14)
InChIKeyNPWUXHFEVQPLLI-UHFFFAOYSA-N
MW221.18 g/mol
LogP1.70
Rot. Bonds2

About 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine

4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine (PubChem CID 58257072) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine.

Molecular Properties

Compound Name4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
PubChem CID58257072
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine
SMILESCc1cc(OC(C)C(F)(F)F)nc(N)n1
InChIInChI=1S/C8H10F3N3O/c1-4-3-6(14-7(12)13-4)15-5(2)8(9,10)11/h3,5H,1-2H3,(H2,12,13,14)
InChIKeyNPWUXHFEVQPLLI-UHFFFAOYSA-N
XLogP1.70
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds2
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.70
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-(2-Amino-6-methyl-pyrimidin-4-yl)oxyethoxymethylphosphonic acid
CID 493047
4-(2-Methoxyethoxy)-6-methylpyrimidin-2-amine
CID 3777900
2-Hydrazinyl-4-methoxy-6-methylpyrimidine
CID 870741
2,4-Dimethoxy-6-methylpyrimidine
CID 269820
4-(2,2-Dimethylpropoxy)-6-methylpyrimidin-2-amine
CID 57063267
3-(2-Amino-6-methylpyrimidin-4-yl)oxy-2,2-dimethylpropan-1-ol
CID 122536305
4-Methoxy-6-methylpyrimidin-2-amine
CID 587236
4-Methyl-6-(2,2,3,3,4,4,5,5-octafluoropentoxy)pyrimidin-2-amine
CID 2246718
4-(2,2,3,3,4,4,5,5,6,6,7,7-Dodecafluoro-heptyloxy)-6-methyl-pyrimidin-2-ylamine
CID 3109471
2-Isopropylamino-4-(2-chloroallyloxy)-6-methyl-pyrimidine
CID 76330728
4-Methoxy-2-(methylsulfanyl)-6-(trifluoromethyl)pyrimidine
CID 248064
2,4-Diethoxy-6-methylpyrimidine
CID 260112

Frequently Asked Questions

What is the IUPAC name of 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The IUPAC name of 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine (CID 58257072) is 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine.
What is the SMILES notation for 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The canonical SMILES for 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine is Cc1cc(OC(C)C(F)(F)F)nc(N)n1.
What is the InChIKey of 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
The InChIKey is NPWUXHFEVQPLLI-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-4-3-6(14-7(12)13-4)15-5(2)8(9,10)11/h3,5H,1-2H3,(H2,12,13,14).
What are the key properties of 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine?
4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine has a molecular weight of 221.18 g/mol, XLogP of 1.70, 2 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-6-(1,1,1-trifluoropropan-2-yloxy)pyrimidin-2-amine is sourced from PubChem (CID 58257072), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).