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

C10H14F3N5O — CID 106770806

IUPAC2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-3-15-6-4-7(16-5(2)8(14)19)18-9(17-6)10(11,12)13/h4-5H,3H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyVFQVROCHOMSWMT-UHFFFAOYSA-N
MW277.25 g/mol
LogP1.21
Rot. Bonds5

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

2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106770806) has the molecular formula C10H14F3N5O and a molecular weight of 277.25 g/mol. Its IUPAC name is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106770806
Molecular FormulaC10H14F3N5O
Molecular Weight277.25 g/mol
Exact Mass277.12
IUPAC Name2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1
InChIInChI=1S/C10H14F3N5O/c1-3-15-6-4-7(16-5(2)8(14)19)18-9(17-6)10(11,12)13/h4-5H,3H2,1-2H3,(H2,14,19)(H2,15,16,17,18)
InChIKeyVFQVROCHOMSWMT-UHFFFAOYSA-N
XLogP1.21
TPSA92.93 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.25
LogP ≤ 51.21
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]propanamide?
The IUPAC name of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106770806) is 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CCNc1cc(NC(C)C(N)=O)nc(C(F)(F)F)n1.
What is the InChIKey of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is VFQVROCHOMSWMT-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H14F3N5O/c1-3-15-6-4-7(16-5(2)8(14)19)18-9(17-6)10(11,12)13/h4-5H,3H2,1-2H3,(H2,14,19)(H2,15,16,17,18).
What are the key properties of 2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
2-[[6-(ethylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 277.25 g/mol, XLogP of 1.21, 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]propanamide is sourced from PubChem (CID 106770806), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).