1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol

C10H14F3N3O2 — CID 114093682

IUPAC1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
SMILESCC(C)Oc1cc(NCC(O)C(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)18-9-3-8(15-5-16-9)14-4-7(17)10(11,12)13/h3,5-7,17H,4H2,1-2H3,(H,14,15,16)
InChIKeyFBSWUCULNBMMAA-UHFFFAOYSA-N
MW265.23 g/mol
LogP1.60
Rot. Bonds5

About 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol

1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol (PubChem CID 114093682) has the molecular formula C10H14F3N3O2 and a molecular weight of 265.23 g/mol. Its IUPAC name is 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol.

Molecular Properties

Compound Name1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
PubChem CID114093682
Molecular FormulaC10H14F3N3O2
Molecular Weight265.23 g/mol
Exact Mass265.10
IUPAC Name1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol
SMILESCC(C)Oc1cc(NCC(O)C(F)(F)F)ncn1
InChIInChI=1S/C10H14F3N3O2/c1-6(2)18-9-3-8(15-5-16-9)14-4-7(17)10(11,12)13/h3,5-7,17H,4H2,1-2H3,(H,14,15,16)
InChIKeyFBSWUCULNBMMAA-UHFFFAOYSA-N
XLogP1.60
TPSA67.27 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.23
LogP ≤ 51.60
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol with MolForge

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Related Compounds

6-propan-2-yloxy-N-(2,3,3-trimethylbutyl)pyrimidin-4-amine
CID 83143319
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]pentan-3-ol
CID 66329217
3-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]hexan-1-ol
CID 106115719
2-[(6-propan-2-yloxypyrimidin-4-yl)amino]acetic acid
CID 66334030
N'-propan-2-yl-N-(6-propan-2-yloxypyrimidin-4-yl)ethane-1,2-diamine
CID 66334042
2-ethyl-1-N-(6-propan-2-yloxypyrimidin-4-yl)butane-1,2-diamine
CID 113283234
3-[(6-ethoxy-2-pyridinyl)amino]-1,1,1-trifluoropropan-2-ol
CID 114093691
4-[[(6-propan-2-yloxypyrimidin-4-yl)amino]methyl]phenol
CID 114332586
1-N,1-N-dimethyl-2-N-(6-propan-2-yloxypyrimidin-4-yl)propane-1,2-diamine
CID 82938650
7-[(6-propan-2-yloxypyrimidin-4-yl)amino]heptanoic acid
CID 66333424
(2S)-4-methyl-2-[(6-propan-2-yloxypyrimidin-4-yl)amino]pentanoic acid
CID 122050022
3-[(6-methoxypyrimidin-4-yl)amino]-2-methylpropan-1-ol
CID 66327238

Frequently Asked Questions

What is the IUPAC name of 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol?
The IUPAC name of 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol (CID 114093682) is 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol.
What is the SMILES notation for 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol?
The canonical SMILES for 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol is CC(C)Oc1cc(NCC(O)C(F)(F)F)ncn1.
What is the InChIKey of 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol?
The InChIKey is FBSWUCULNBMMAA-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O2/c1-6(2)18-9-3-8(15-5-16-9)14-4-7(17)10(11,12)13/h3,5-7,17H,4H2,1-2H3,(H,14,15,16).
What are the key properties of 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol?
1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol has a molecular weight of 265.23 g/mol, XLogP of 1.60, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 1,1,1-trifluoro-3-[(6-propan-2-yloxypyrimidin-4-yl)amino]propan-2-ol is sourced from PubChem (CID 114093682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).