4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol

C11H13ClF3N3O2 — CID 114562791

IUPAC4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2cc(C(F)(F)F)nc(Cl)n2)CCOCC1
InChIInChI=1S/C11H13ClF3N3O2/c12-9-17-7(11(13,14)15)5-8(18-9)16-6-10(19)1-3-20-4-2-10/h5,19H,1-4,6H2,(H,16,17,18)
InChIKeyYFUAIKWPEXWTGW-UHFFFAOYSA-N
MW311.69 g/mol
LogP2.10
Rot. Bonds3

About 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol

4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol (PubChem CID 114562791) has the molecular formula C11H13ClF3N3O2 and a molecular weight of 311.69 g/mol. Its IUPAC name is 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol.

Molecular Properties

Compound Name4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
PubChem CID114562791
Molecular FormulaC11H13ClF3N3O2
Molecular Weight311.69 g/mol
Exact Mass311.06
IUPAC Name4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol
SMILESOC1(CNc2cc(C(F)(F)F)nc(Cl)n2)CCOCC1
InChIInChI=1S/C11H13ClF3N3O2/c12-9-17-7(11(13,14)15)5-8(18-9)16-6-10(19)1-3-20-4-2-10/h5,19H,1-4,6H2,(H,16,17,18)
InChIKeyYFUAIKWPEXWTGW-UHFFFAOYSA-N
XLogP2.10
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500311.69
LogP ≤ 52.10
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol with MolForge

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Related Compounds

3-[[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxolan-3-ol
CID 106102714
4-[[[4-(trifluoromethyl)-2-pyridinyl]amino]methyl]oxan-4-ol
CID 79839410
4-[[[5-amino-2-(trifluoromethyl)-4-pyridinyl]amino]methyl]oxan-4-ol
CID 106747935
2-chloro-N-(2-chloroprop-2-enyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 106195552
2-chloro-N-(cyclohexylmethyl)-6-(trifluoromethyl)pyrimidin-4-amine
CID 114562240
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]-2-methylbutan-2-ol
CID 114562693
1-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]butan-2-ol
CID 114562913
4-[[(6-chloroquinoxalin-2-yl)amino]methyl]oxan-4-ol
CID 172900555
[3-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]phenyl]methanol
CID 106197136
N-[2-[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]ethyl]methanesulfonamide
CID 114562262
4-[[(6-hydrazinyl-2-pyridinyl)amino]methyl]oxan-4-ol
CID 81132046
4-[[[6-(methylamino)-2-propylpyrimidin-4-yl]amino]methyl]oxan-4-ol
CID 81132043

Frequently Asked Questions

What is the IUPAC name of 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The IUPAC name of 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol (CID 114562791) is 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol.
What is the SMILES notation for 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The canonical SMILES for 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol is OC1(CNc2cc(C(F)(F)F)nc(Cl)n2)CCOCC1.
What is the InChIKey of 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
The InChIKey is YFUAIKWPEXWTGW-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H13ClF3N3O2/c12-9-17-7(11(13,14)15)5-8(18-9)16-6-10(19)1-3-20-4-2-10/h5,19H,1-4,6H2,(H,16,17,18).
What are the key properties of 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol?
4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol has a molecular weight of 311.69 g/mol, XLogP of 2.10, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[[2-chloro-6-(trifluoromethyl)pyrimidin-4-yl]amino]methyl]oxan-4-ol is sourced from PubChem (CID 114562791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).