(2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide

C10H13F3N4O — CID 56878331

IUPAC(2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide
SMILESC[C@@H](Nc1nccc(CCC(F)(F)F)n1)C(N)=O
InChIInChI=1S/C10H13F3N4O/c1-6(8(14)18)16-9-15-5-3-7(17-9)2-4-10(11,12)13/h3,5-6H,2,4H2,1H3,(H2,14,18)(H,15,16,17)/t6-/m1/s1
InChIKeyBSXQGIARJZWPCX-ZCFIWIBFSA-N
MW262.23 g/mol
LogP1.26
Rot. Bonds5

About (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide

(2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide (PubChem CID 56878331) has the molecular formula C10H13F3N4O and a molecular weight of 262.23 g/mol. Its IUPAC name is (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide.

Molecular Properties

Compound Name(2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide
PubChem CID56878331
Molecular FormulaC10H13F3N4O
Molecular Weight262.23 g/mol
Exact Mass262.10
IUPAC Name(2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide
SMILESC[C@@H](Nc1nccc(CCC(F)(F)F)n1)C(N)=O
InChIInChI=1S/C10H13F3N4O/c1-6(8(14)18)16-9-15-5-3-7(17-9)2-4-10(11,12)13/h3,5-6H,2,4H2,1H3,(H2,14,18)(H,15,16,17)/t6-/m1/s1
InChIKeyBSXQGIARJZWPCX-ZCFIWIBFSA-N
XLogP1.26
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500262.23
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Related Compounds

3-amino-5-[2-(methylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 20399253
(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-Ethyl-N-{1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]pyrrolidin-3-YL}acetamide
CID 56865162
N-methyl-1-[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]pyrrolidine-3-carboxamide
CID 56868588
N-[1-(3-Isopropyl-1,2,4-oxadiazol-5-YL)ethyl]-4-(3,3,3-trifluoropropyl)pyrimidin-2-amine
CID 56870318
N-(2-{[4-(3,3,3-Trifluoropropyl)pyrimidin-2-YL]amino}ethyl)acetamide
CID 56917547
2-Methyl-6-(2-{[4-(3,3,3-trifluoropropyl)pyrimidin-2-YL]amino}ethyl)pyrimidin-4-OL
CID 136185556
3-amino-5-[2-(cyclopropylamino)pyrimidin-4-yl]-1H-pyridin-2-one
CID 145979750
(1-Pyrimidin-4-ylethyl)amine
CID 21481538
N-methyl-2-[methyl-[4-(trifluoromethyl)pyrimidin-2-yl]amino]acetamide
CID 31536708
3-[[4-(Trifluoromethyl)pyrimidin-2-yl]amino]azepan-2-one
CID 47463922

Frequently Asked Questions

What is the IUPAC name of (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide?
The IUPAC name of (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide (CID 56878331) is (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide.
What is the SMILES notation for (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide?
The canonical SMILES for (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide is C[C@@H](Nc1nccc(CCC(F)(F)F)n1)C(N)=O.
What is the InChIKey of (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide?
The InChIKey is BSXQGIARJZWPCX-ZCFIWIBFSA-N. The full InChI is InChI=1S/C10H13F3N4O/c1-6(8(14)18)16-9-15-5-3-7(17-9)2-4-10(11,12)13/h3,5-6H,2,4H2,1H3,(H2,14,18)(H,15,16,17)/t6-/m1/s1.
What are the key properties of (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide?
(2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide has a molecular weight of 262.23 g/mol, XLogP of 1.26, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for (2R)-2-[[4-(3,3,3-trifluoropropyl)pyrimidin-2-yl]amino]propanamide is sourced from PubChem (CID 56878331), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).