(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol

C8H10F3N3O — CID 95620017

IUPAC(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
SMILESC[C@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-5(4-15)13-7-12-3-2-6(14-7)8(9,10)11/h2-3,5,15H,4H2,1H3,(H,12,13,14)/t5-/m1/s1
InChIKeyDRNSETLVLHSLRC-RXMQYKEDSA-N
MW221.18 g/mol
LogP1.29
Rot. Bonds3

About (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol

(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (PubChem CID 95620017) has the molecular formula C8H10F3N3O and a molecular weight of 221.18 g/mol. Its IUPAC name is (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol.

Molecular Properties

Compound Name(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
PubChem CID95620017
Molecular FormulaC8H10F3N3O
Molecular Weight221.18 g/mol
Exact Mass221.08
IUPAC Name(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
SMILESC[C@H](CO)Nc1nccc(C(F)(F)F)n1
InChIInChI=1S/C8H10F3N3O/c1-5(4-15)13-7-12-3-2-6(14-7)8(9,10)11/h2-3,5,15H,4H2,1H3,(H,12,13,14)/t5-/m1/s1
InChIKeyDRNSETLVLHSLRC-RXMQYKEDSA-N
XLogP1.29
TPSA58.04 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500221.18
LogP ≤ 51.29
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 56786340
N-butan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 60732408
N-propan-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 2796113
(2R,3S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]butan-1-ol
CID 95315574
N-(1-ethylsulfanylpropan-2-yl)-4-(trifluoromethyl)pyrimidin-2-amine
CID 115659006
N-butan-2-yl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47464136
N-hept-6-en-2-yl-4-(trifluoromethyl)pyrimidin-2-amine
CID 133436124
4-methyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]pentanoic acid
CID 64584680
(2S)-3-phenyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol
CID 95325911
N-propyl-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propanamide
CID 47159154
4-(trifluoromethyl)-N-(2,2,3-trimethylbutyl)pyrimidin-2-amine
CID 102609044
4-methyl-3-N-[4-(trifluoromethyl)pyrimidin-2-yl]pentane-1,3-diamine
CID 106357554

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The IUPAC name of (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol (CID 95620017) is (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol.
What is the SMILES notation for (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The canonical SMILES for (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol is C[C@H](CO)Nc1nccc(C(F)(F)F)n1.
What is the InChIKey of (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
The InChIKey is DRNSETLVLHSLRC-RXMQYKEDSA-N. The full InChI is InChI=1S/C8H10F3N3O/c1-5(4-15)13-7-12-3-2-6(14-7)8(9,10)11/h2-3,5,15H,4H2,1H3,(H,12,13,14)/t5-/m1/s1.
What are the key properties of (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol?
(2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol has a molecular weight of 221.18 g/mol, XLogP of 1.29, 3 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]propan-1-ol is sourced from PubChem (CID 95620017), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).