N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide

C16H22F3N3O3 — CID 91840792

IUPACN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)COCC2CCCCO2)n1
InChIInChI=1S/C16H22F3N3O3/c1-11-8-13(16(17,18)19)22-14(21-11)5-6-20-15(23)10-24-9-12-4-2-3-7-25-12/h8,12H,2-7,9-10H2,1H3,(H,20,23)
InChIKeyNKLZVCXPRLZQSV-UHFFFAOYSA-N
MW361.36 g/mol
LogP2.05
Rot. Bonds7

About N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide

N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide (PubChem CID 91840792) has the molecular formula C16H22F3N3O3 and a molecular weight of 361.36 g/mol. Its IUPAC name is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide.

Molecular Properties

Compound NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide
PubChem CID91840792
Molecular FormulaC16H22F3N3O3
Molecular Weight361.36 g/mol
Exact Mass361.16
IUPAC NameN-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide
SMILESCc1cc(C(F)(F)F)nc(CCNC(=O)COCC2CCCCO2)n1
InChIInChI=1S/C16H22F3N3O3/c1-11-8-13(16(17,18)19)22-14(21-11)5-6-20-15(23)10-24-9-12-4-2-3-7-25-12/h8,12H,2-7,9-10H2,1H3,(H,20,23)
InChIKeyNKLZVCXPRLZQSV-UHFFFAOYSA-N
XLogP2.05
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500361.36
LogP ≤ 52.05
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide?
The IUPAC name of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide (CID 91840792) is N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide.
What is the SMILES notation for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide?
The canonical SMILES for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide is Cc1cc(C(F)(F)F)nc(CCNC(=O)COCC2CCCCO2)n1.
What is the InChIKey of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide?
The InChIKey is NKLZVCXPRLZQSV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H22F3N3O3/c1-11-8-13(16(17,18)19)22-14(21-11)5-6-20-15(23)10-24-9-12-4-2-3-7-25-12/h8,12H,2-7,9-10H2,1H3,(H,20,23).
What are the key properties of N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide?
N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide has a molecular weight of 361.36 g/mol, XLogP of 2.05, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[4-methyl-6-(trifluoromethyl)pyrimidin-2-yl]ethyl]-2-(oxan-2-ylmethoxy)acetamide is sourced from PubChem (CID 91840792), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).