N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

C11H16F3N5O — CID 106771185

IUPACN,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNc1cc(NC(C)C(=O)N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-6(9(20)19(3)4)16-8-5-7(15-2)17-10(18-8)11(12,13)14/h5-6H,1-4H3,(H2,15,16,17,18)
InChIKeyRWIATZRRVYGNDP-UHFFFAOYSA-N
MW291.28 g/mol
LogP1.43
Rot. Bonds4

About N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide

N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (PubChem CID 106771185) has the molecular formula C11H16F3N5O and a molecular weight of 291.28 g/mol. Its IUPAC name is N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.

Molecular Properties

Compound NameN,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
PubChem CID106771185
Molecular FormulaC11H16F3N5O
Molecular Weight291.28 g/mol
Exact Mass291.13
IUPAC NameN,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide
SMILESCNc1cc(NC(C)C(=O)N(C)C)nc(C(F)(F)F)n1
InChIInChI=1S/C11H16F3N5O/c1-6(9(20)19(3)4)16-8-5-7(15-2)17-10(18-8)11(12,13)14/h5-6H,1-4H3,(H2,15,16,17,18)
InChIKeyRWIATZRRVYGNDP-UHFFFAOYSA-N
XLogP1.43
TPSA70.15 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500291.28
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The IUPAC name of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide (CID 106771185) is N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide.
What is the SMILES notation for N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The canonical SMILES for N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is CNc1cc(NC(C)C(=O)N(C)C)nc(C(F)(F)F)n1.
What is the InChIKey of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
The InChIKey is RWIATZRRVYGNDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H16F3N5O/c1-6(9(20)19(3)4)16-8-5-7(15-2)17-10(18-8)11(12,13)14/h5-6H,1-4H3,(H2,15,16,17,18).
What are the key properties of N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide?
N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide has a molecular weight of 291.28 g/mol, XLogP of 1.43, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N,N-dimethyl-2-[[6-(methylamino)-2-(trifluoromethyl)pyrimidin-4-yl]amino]propanamide is sourced from PubChem (CID 106771185), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).