N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide

C16H20FN5O2 — CID 122319662

IUPACN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide
SMILESCN(C)c1ncc(NC(=O)COc2ccccc2F)c(N(C)C)n1
InChIInChI=1S/C16H20FN5O2/c1-21(2)15-12(9-18-16(20-15)22(3)4)19-14(23)10-24-13-8-6-5-7-11(13)17/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyNHEKSOPPDVKILY-UHFFFAOYSA-N
MW333.37 g/mol
LogP1.77
Rot. Bonds6

About N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide

N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide (PubChem CID 122319662) has the molecular formula C16H20FN5O2 and a molecular weight of 333.37 g/mol. Its IUPAC name is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide.

Molecular Properties

Compound NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide
PubChem CID122319662
Molecular FormulaC16H20FN5O2
Molecular Weight333.37 g/mol
Exact Mass333.16
IUPAC NameN-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide
SMILESCN(C)c1ncc(NC(=O)COc2ccccc2F)c(N(C)C)n1
InChIInChI=1S/C16H20FN5O2/c1-21(2)15-12(9-18-16(20-15)22(3)4)19-14(23)10-24-13-8-6-5-7-11(13)17/h5-9H,10H2,1-4H3,(H,19,23)
InChIKeyNHEKSOPPDVKILY-UHFFFAOYSA-N
XLogP1.77
TPSA70.59 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500333.37
LogP ≤ 51.77
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-[[2-(dimethylamino)pyrimidin-4-yl]methyl]-2-(2-fluorophenoxy)acetamide
CID 122354279
N-[2-(dimethylamino)-5,6,7,8-tetrahydroquinazolin-6-yl]-2-(2-fluorophenoxy)acetamide
CID 126853932
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-3-methylbutanamide
CID 91969256
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122319450
N-[4-(dimethylamino)-2-piperidin-1-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320175
N-(2-fluoro-4-methylphenyl)-2-(2-fluorophenoxy)acetamide
CID 7815061
N-(2,6-difluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 892688
2-(2-fluorophenoxy)-N-[2-(methanesulfonamido)phenyl]acetamide
CID 35368287
N-[4-(dimethylamino)-2-morpholin-4-ylpyrimidin-5-yl]-2-(2-methoxyphenoxy)acetamide
CID 122320438
N-(4-chloro-2-fluorophenyl)-2-(2-fluorophenoxy)acetamide
CID 7961385
N-(5-chloro-2-methoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 2326605
N-(2,5-dimethoxyphenyl)-2-(2-fluorophenoxy)acetamide
CID 7962741

Frequently Asked Questions

What is the IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide?
The IUPAC name of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide (CID 122319662) is N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide.
What is the SMILES notation for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide?
The canonical SMILES for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide is CN(C)c1ncc(NC(=O)COc2ccccc2F)c(N(C)C)n1.
What is the InChIKey of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide?
The InChIKey is NHEKSOPPDVKILY-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20FN5O2/c1-21(2)15-12(9-18-16(20-15)22(3)4)19-14(23)10-24-13-8-6-5-7-11(13)17/h5-9H,10H2,1-4H3,(H,19,23).
What are the key properties of N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide?
N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide has a molecular weight of 333.37 g/mol, XLogP of 1.77, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2,4-bis(dimethylamino)pyrimidin-5-yl]-2-(2-fluorophenoxy)acetamide is sourced from PubChem (CID 122319662), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).