N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide

C11H15F3N4O — CID 122356350

IUPACN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-6-9(17-8(19)5-11(12,13)14)7(2)16-10(15-6)18(3)4/h5H2,1-4H3,(H,17,19)
InChIKeyYVORNTFXNLLESP-UHFFFAOYSA-N
MW276.26 g/mol
LogP2.05
Rot. Bonds3

About N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide

N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide (PubChem CID 122356350) has the molecular formula C11H15F3N4O and a molecular weight of 276.26 g/mol. Its IUPAC name is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide.

Molecular Properties

Compound NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide
PubChem CID122356350
Molecular FormulaC11H15F3N4O
Molecular Weight276.26 g/mol
Exact Mass276.12
IUPAC NameN-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide
SMILESCc1nc(N(C)C)nc(C)c1NC(=O)CC(F)(F)F
InChIInChI=1S/C11H15F3N4O/c1-6-9(17-8(19)5-11(12,13)14)7(2)16-10(15-6)18(3)4/h5H2,1-4H3,(H,17,19)
InChIKeyYVORNTFXNLLESP-UHFFFAOYSA-N
XLogP2.05
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500276.26
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The IUPAC name of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide (CID 122356350) is N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide.
What is the SMILES notation for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The canonical SMILES for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide is Cc1nc(N(C)C)nc(C)c1NC(=O)CC(F)(F)F.
What is the InChIKey of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide?
The InChIKey is YVORNTFXNLLESP-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H15F3N4O/c1-6-9(17-8(19)5-11(12,13)14)7(2)16-10(15-6)18(3)4/h5H2,1-4H3,(H,17,19).
What are the key properties of N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide?
N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide has a molecular weight of 276.26 g/mol, XLogP of 2.05, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-(dimethylamino)-4,6-dimethylpyrimidin-5-yl]-3,3,3-trifluoropropanamide is sourced from PubChem (CID 122356350), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).