1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol

C10H14F3N3O — CID 56866102

IUPAC1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(17)6-15-9-14-5-3-8(16-9)2-4-10(11,12)13/h3,5,7,17H,2,4,6H2,1H3,(H,14,15,16)
InChIKeyCKYSSQWJKSFCGS-UHFFFAOYSA-N
MW249.24 g/mol
LogP1.76
Rot. Bonds5

About 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol

1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol (PubChem CID 56866102) has the molecular formula C10H14F3N3O and a molecular weight of 249.24 g/mol. Its IUPAC name is 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol.

Molecular Properties

Compound Name1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol
PubChem CID56866102
Molecular FormulaC10H14F3N3O
Molecular Weight249.24 g/mol
Exact Mass249.11
IUPAC Name1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol
SMILESCC(O)CNc1nccc(CCC(F)(F)F)n1
InChIInChI=1S/C10H14F3N3O/c1-7(17)6-15-9-14-5-3-8(16-9)2-4-10(11,12)13/h3,5,7,17H,2,4,6H2,1H3,(H,14,15,16)
InChIKeyCKYSSQWJKSFCGS-UHFFFAOYSA-N
XLogP1.76
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500249.24
LogP ≤ 51.76
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

Analyze 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol with MolForge

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Related Compounds

Methyl[2-(pyrimidin-4-yl)ethyl]amine
CID 64868994
(1R*,3R*)-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclopentane-1,3-diamine
CID 56743877
cis-N-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]cyclohexane-1,4-diamine
CID 56864169
N-(tetrahydrofuran-3-yl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56878990
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
[1-({Methyl[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}methyl)cyclopropyl]methanol
CID 56917961
1-[(6-Ethylpyrimidin-4-yl)amino]-3-piperidin-1-ylpropan-2-ol
CID 72858727
1-[(6-Ethylpyrimidin-4-yl)amino]-3-pyrrolidin-1-ylpropan-2-ol
CID 72886771
[4-(1,1-Difluoroethyl)pyrimidin-2-yl]methanol
CID 155943805
(2S)-1,1,1-trifluoro-3-pyrimidin-4-ylpropan-2-ol
CID 102146121
1-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)piperidin-4-OL
CID 56861481
N-(tetrahydro-2H-pyran-4-ylmethyl)-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56863545

Frequently Asked Questions

What is the IUPAC name of 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol?
The IUPAC name of 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol (CID 56866102) is 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol.
What is the SMILES notation for 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol?
The canonical SMILES for 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol is CC(O)CNc1nccc(CCC(F)(F)F)n1.
What is the InChIKey of 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol?
The InChIKey is CKYSSQWJKSFCGS-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N3O/c1-7(17)6-15-9-14-5-3-8(16-9)2-4-10(11,12)13/h3,5,7,17H,2,4,6H2,1H3,(H,14,15,16).
What are the key properties of 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol?
1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol has a molecular weight of 249.24 g/mol, XLogP of 1.76, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propan-2-ol is sourced from PubChem (CID 56866102), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).