1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine

C11H16F3N3O — CID 82666594

IUPAC1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine
SMILESCOc1cc(C(F)(F)F)nc(C(N)CC(C)C)n1
InChIInChI=1S/C11H16F3N3O/c1-6(2)4-7(15)10-16-8(11(12,13)14)5-9(17-10)18-3/h5-7H,4,15H2,1-3H3
InChIKeyIEMKFOBFZJBWQG-UHFFFAOYSA-N
MW263.26 g/mol
LogP2.55
Rot. Bonds4

About 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine

1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine (PubChem CID 82666594) has the molecular formula C11H16F3N3O and a molecular weight of 263.26 g/mol. Its IUPAC name is 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine.

Molecular Properties

Compound Name1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine
PubChem CID82666594
Molecular FormulaC11H16F3N3O
Molecular Weight263.26 g/mol
Exact Mass263.12
IUPAC Name1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine
SMILESCOc1cc(C(F)(F)F)nc(C(N)CC(C)C)n1
InChIInChI=1S/C11H16F3N3O/c1-6(2)4-7(15)10-16-8(11(12,13)14)5-9(17-10)18-3/h5-7H,4,15H2,1-3H3
InChIKeyIEMKFOBFZJBWQG-UHFFFAOYSA-N
XLogP2.55
TPSA61.03 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500263.26
LogP ≤ 52.55
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-(bromomethyl)-2-methoxy-6-(trifluoromethyl)pyridine
CID 118704153
4-methoxy-6-(trifluoromethyl)pyrimidine-2-carbaldehyde
CID 83882637
2-[(3-chlorophenyl)-methylsulfanylmethyl]-4-methoxy-6-(trifluoromethyl)pyrimidine
CID 141131391
2-(4,6-dimethoxypyrimidin-2-yl)-4-methylpentanoic acid
CID 113428058
3-[2-propan-2-yl-6-(trifluoromethyl)pyrimidin-4-yl]oxybenzonitrile
CID 130395939
2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]acetonitrile
CID 118704434
(6-methoxy-2-propan-2-ylpyrimidin-4-yl)methanamine
CID 83851901
2-methyl-1-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]propan-1-amine
CID 63321275
2-[2-methoxy-6-(trifluoromethyl)-4-pyridinyl]-N-methylbutan-1-amine
CID 153376648
4-N-methyl-4-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidine-2,4-diamine
CID 114564622
2-methoxy-4-(2,3,4,5,6-pentachlorophenyl)-6-(trifluoromethyl)pyridine
CID 134620759
(1R)-1-[3-(6-methoxypyrimidin-4-yl)-1,2,4-oxadiazol-5-yl]-3-methylbutan-1-amine
CID 102949718

Frequently Asked Questions

What is the IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine?
The IUPAC name of 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine (CID 82666594) is 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine.
What is the SMILES notation for 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine?
The canonical SMILES for 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine is COc1cc(C(F)(F)F)nc(C(N)CC(C)C)n1.
What is the InChIKey of 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine?
The InChIKey is IEMKFOBFZJBWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N3O/c1-6(2)4-7(15)10-16-8(11(12,13)14)5-9(17-10)18-3/h5-7H,4,15H2,1-3H3.
What are the key properties of 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine?
1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine has a molecular weight of 263.26 g/mol, XLogP of 2.55, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methoxy-6-(trifluoromethyl)pyrimidin-2-yl]-3-methylbutan-1-amine is sourced from PubChem (CID 82666594), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).