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

C11H16F3N5O — CID 106771178

IUPAC2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide
SMILESCCNc1cc(NC(C)C(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-4-16-7-5-8(17-6(2)9(20)15-3)19-10(18-7)11(12,13)14/h5-6H,4H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyKUXUSZSAGLIEIN-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.47
Rot. Bonds5

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

2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide (PubChem CID 106771178) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide
PubChem CID106771178
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide
SMILESCCNc1cc(NC(C)C(=O)NC)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-4-16-7-5-8(17-6(2)9(20)15-3)19-10(18-7)11(12,13)14/h5-6H,4H2,1-3H3,(H,15,20)(H2,16,17,18,19)
InChIKeyKUXUSZSAGLIEIN-UHFFFAOYSA-N
XLogP1.47
TPSA78.94 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.47
H-Bond Donors ≤ 53
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-methylpropanamide?
The IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide (CID 106771178) is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide is CCNc1cc(NC(C)C(=O)NC)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide?
The InChIKey is KUXUSZSAGLIEIN-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-4-16-7-5-8(17-6(2)9(20)15-3)19-10(18-7)11(12,13)14/h5-6H,4H2,1-3H3,(H,15,20)(H2,16,17,18,19).
What are the key properties of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide?
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]-N-methylpropanamide has a molecular weight of 291.28 g/mol, XLogP of 1.47, 5 rotatable bonds, 3 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-methylpropanamide is sourced from PubChem (CID 106771178), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).