N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide

C19H23F2N3O2 — CID 73388196

IUPACN-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCc1nc(OCc2ccc(F)cc2F)nc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H23F2N3O2/c1-11-17(24-16(25)9-19(3,4)5)12(2)23-18(22-11)26-10-13-6-7-14(20)8-15(13)21/h6-8H,9-10H2,1-5H3,(H,24,25)
InChIKeyUZPCIVHTNAZTMD-UHFFFAOYSA-N
MW363.41 g/mol
LogP4.33
Rot. Bonds5

About N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide

N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide (PubChem CID 73388196) has the molecular formula C19H23F2N3O2 and a molecular weight of 363.41 g/mol. Its IUPAC name is N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide.

Molecular Properties

Compound NameN-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
PubChem CID73388196
Molecular FormulaC19H23F2N3O2
Molecular Weight363.41 g/mol
Exact Mass363.18
IUPAC NameN-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide
SMILESCc1nc(OCc2ccc(F)cc2F)nc(C)c1NC(=O)CC(C)(C)C
InChIInChI=1S/C19H23F2N3O2/c1-11-17(24-16(25)9-19(3,4)5)12(2)23-18(22-11)26-10-13-6-7-14(20)8-15(13)21/h6-8H,9-10H2,1-5H3,(H,24,25)
InChIKeyUZPCIVHTNAZTMD-UHFFFAOYSA-N
XLogP4.33
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500363.41
LogP ≤ 54.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide?
The IUPAC name of N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide (CID 73388196) is N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide.
What is the SMILES notation for N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide?
The canonical SMILES for N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide is Cc1nc(OCc2ccc(F)cc2F)nc(C)c1NC(=O)CC(C)(C)C.
What is the InChIKey of N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide?
The InChIKey is UZPCIVHTNAZTMD-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23F2N3O2/c1-11-17(24-16(25)9-19(3,4)5)12(2)23-18(22-11)26-10-13-6-7-14(20)8-15(13)21/h6-8H,9-10H2,1-5H3,(H,24,25).
What are the key properties of N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide?
N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide has a molecular weight of 363.41 g/mol, XLogP of 4.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-[(2,4-difluorophenyl)methoxy]-4,6-dimethylpyrimidin-5-yl]-3,3-dimethylbutanamide is sourced from PubChem (CID 73388196), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).