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

C9H11ClF3N3O — CID 114562913

IUPAC1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCC(O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C9H11ClF3N3O/c1-2-5(17)4-14-7-3-6(9(11,12)13)15-8(10)16-7/h3,5,17H,2,4H2,1H3,(H,14,15,16)
InChIKeyWOASYHXGOMJNKK-UHFFFAOYSA-N
MW269.65 g/mol
LogP2.33
Rot. Bonds4

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

1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol (PubChem CID 114562913) has the molecular formula C9H11ClF3N3O and a molecular weight of 269.65 g/mol. Its IUPAC name is 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol.

Molecular Properties

Compound Name1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
PubChem CID114562913
Molecular FormulaC9H11ClF3N3O
Molecular Weight269.65 g/mol
Exact Mass269.05
IUPAC Name1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
SMILESCCC(O)CNc1cc(C(F)(F)F)nc(Cl)n1
InChIInChI=1S/C9H11ClF3N3O/c1-2-5(17)4-14-7-3-6(9(11,12)13)15-8(10)16-7/h3,5,17H,2,4H2,1H3,(H,14,15,16)
InChIKeyWOASYHXGOMJNKK-UHFFFAOYSA-N
XLogP2.33
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500269.65
LogP ≤ 52.33
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

1-[[2-hydrazinyl-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114567616
2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-1-phenylethanol
CID 114562246
2-chloro-N-pentan-3-yl-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562202
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
2-chloro-N-(3-methylpentan-3-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114174544
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
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
1-[[2-amino-6-(trifluoromethyl)pyrimidin-4-yl]amino]propan-2-ol
CID 114564072
2-chloro-N-(4-methylpentan-2-yl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562241
N-[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]-N',N',2,2-tetramethylpropane-1,3-diamine
CID 114562209
2-chloro-N-[2-(2-methylpropoxy)ethyl]-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562937

Frequently Asked Questions

What is the IUPAC name of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The IUPAC name of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol (CID 114562913) is 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol.
What is the SMILES notation for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The canonical SMILES for 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol is CCC(O)CNc1cc(C(F)(F)F)nc(Cl)n1.
What is the InChIKey of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
The InChIKey is WOASYHXGOMJNKK-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H11ClF3N3O/c1-2-5(17)4-14-7-3-6(9(11,12)13)15-8(10)16-7/h3,5,17H,2,4H2,1H3,(H,14,15,16).
What are the key properties of 1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol?
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol has a molecular weight of 269.65 g/mol, XLogP of 2.33, 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]butan-2-ol is sourced from PubChem (CID 114562913), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).