2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide

C11H12ClF3N4O — CID 106768277

IUPAC2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide
SMILESCC(Nc1cc(Cl)nc(C(F)(F)F)n1)C(=O)NC1CC1
InChIInChI=1S/C11H12ClF3N4O/c1-5(9(20)17-6-2-3-6)16-8-4-7(12)18-10(19-8)11(13,14)15/h4-6H,2-3H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyWFCZLVSHFQLDMM-UHFFFAOYSA-N
MW308.69 g/mol
LogP2.23
Rot. Bonds4

About 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide

2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide (PubChem CID 106768277) has the molecular formula C11H12ClF3N4O and a molecular weight of 308.69 g/mol. Its IUPAC name is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide.

Molecular Properties

Compound Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide
PubChem CID106768277
Molecular FormulaC11H12ClF3N4O
Molecular Weight308.69 g/mol
Exact Mass308.07
IUPAC Name2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide
SMILESCC(Nc1cc(Cl)nc(C(F)(F)F)n1)C(=O)NC1CC1
InChIInChI=1S/C11H12ClF3N4O/c1-5(9(20)17-6-2-3-6)16-8-4-7(12)18-10(19-8)11(13,14)15/h4-6H,2-3H2,1H3,(H,17,20)(H,16,18,19)
InChIKeyWFCZLVSHFQLDMM-UHFFFAOYSA-N
XLogP2.23
TPSA66.91 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.69
LogP ≤ 52.23
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide?
The IUPAC name of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide (CID 106768277) is 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide.
What is the SMILES notation for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide?
The canonical SMILES for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide is CC(Nc1cc(Cl)nc(C(F)(F)F)n1)C(=O)NC1CC1.
What is the InChIKey of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide?
The InChIKey is WFCZLVSHFQLDMM-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12ClF3N4O/c1-5(9(20)17-6-2-3-6)16-8-4-7(12)18-10(19-8)11(13,14)15/h4-6H,2-3H2,1H3,(H,17,20)(H,16,18,19).
What are the key properties of 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide?
2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide has a molecular weight of 308.69 g/mol, XLogP of 2.23, 4 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-chloro-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-cyclopropylpropanamide is sourced from PubChem (CID 106768277), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).