1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

C10H13ClF3N3O — CID 114562693

IUPAC1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H13ClF3N3O/c1-3-9(2,18)5-15-7-4-6(10(12,13)14)16-8(11)17-7/h4,18H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyIYNQQSHLEFGAIY-UHFFFAOYSA-N
MW283.68 g/mol
LogP2.72
Rot. Bonds4

About 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol

1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (PubChem CID 114562693) has the molecular formula C10H13ClF3N3O and a molecular weight of 283.68 g/mol. Its IUPAC name is 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.

Molecular Properties

Compound Name1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
PubChem CID114562693
Molecular FormulaC10H13ClF3N3O
Molecular Weight283.68 g/mol
Exact Mass283.07
IUPAC Name1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
SMILESCCC(C)(O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C10H13ClF3N3O/c1-3-9(2,18)5-15-7-4-6(10(12,13)14)16-8(11)17-7/h4,18H,3,5H2,1-2H3,(H,15,16,17)
InChIKeyIYNQQSHLEFGAIY-UHFFFAOYSA-N
XLogP2.72
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.68
LogP ≤ 52.72
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-1-[[2-(methylamino)-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114565294
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114174544
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 114562209
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
1-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 106772277
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-N-propylacetamide
CID 114562271
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
3-[[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]pentan-3-ol
CID 114565296
1-[(2-chloro-6-methylpyrimidin-4-yl)amino]-2-methylpentan-2-ol
CID 106293545
2-chloro-N-(4-methoxybutyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562485

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The IUPAC name of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol (CID 114562693) is 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol.
What is the SMILES notation for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The canonical SMILES for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is CCC(C)(O)CNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
The InChIKey is IYNQQSHLEFGAIY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13ClF3N3O/c1-3-9(2,18)5-15-7-4-6(10(12,13)14)16-8(11)17-7/h4,18H,3,5H2,1-2H3,(H,15,16,17).
What are the key properties of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol?
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol has a molecular weight of 283.68 g/mol, XLogP of 2.72, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol is sourced from PubChem (CID 114562693), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).