2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide

C12H18F3N5O — CID 106771184

IUPAC2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCNc1cc(NC(C)C(=O)N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-5-16-8-6-9(17-7(2)10(21)20(3)4)19-11(18-8)12(13,14)15/h6-7H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeySRBPECFGMCBXFR-UHFFFAOYSA-N
MW305.30 g/mol
LogP1.82
Rot. Bonds5

About 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide

2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (PubChem CID 106771184) has the molecular formula C12H18F3N5O and a molecular weight of 305.30 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
PubChem CID106771184
Molecular FormulaC12H18F3N5O
Molecular Weight305.30 g/mol
Exact Mass305.15
IUPAC Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide
SMILESCCNc1cc(NC(C)C(=O)N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C12H18F3N5O/c1-5-16-8-6-9(17-7(2)10(21)20(3)4)19-11(18-8)12(13,14)15/h6-7H,5H2,1-4H3,(H2,16,17,18,19)
InChIKeySRBPECFGMCBXFR-UHFFFAOYSA-N
XLogP1.82
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500305.30
LogP ≤ 51.82
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide (CID 106771184) is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is CCNc1cc(NC(C)C(=O)N(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
The InChIKey is SRBPECFGMCBXFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18F3N5O/c1-5-16-8-6-9(17-7(2)10(21)20(3)4)19-11(18-8)12(13,14)15/h6-7H,5H2,1-4H3,(H2,16,17,18,19).
What are the key properties of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide?
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide has a molecular weight of 305.30 g/mol, XLogP of 1.82, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N,N-dimethylpropanamide is sourced from PubChem (CID 106771184), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).