N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide

C14H14F2N4O2 — CID 122319312

IUPACN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
SMILESCOc1ncc(NC(=O)c2ccc(F)cc2F)c(N(C)C)n1
InChIInChI=1S/C14H14F2N4O2/c1-20(2)12-11(7-17-14(19-12)22-3)18-13(21)9-5-4-8(15)6-10(9)16/h4-7H,1-3H3,(H,18,21)
InChIKeyCBOBRXRQKUJGBT-UHFFFAOYSA-N
MW308.29 g/mol
LogP2.08
Rot. Bonds4

About N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide

N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide (PubChem CID 122319312) has the molecular formula C14H14F2N4O2 and a molecular weight of 308.29 g/mol. Its IUPAC name is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide.

Molecular Properties

Compound NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
PubChem CID122319312
Molecular FormulaC14H14F2N4O2
Molecular Weight308.29 g/mol
Exact Mass308.11
IUPAC NameN-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide
SMILESCOc1ncc(NC(=O)c2ccc(F)cc2F)c(N(C)C)n1
InChIInChI=1S/C14H14F2N4O2/c1-20(2)12-11(7-17-14(19-12)22-3)18-13(21)9-5-4-8(15)6-10(9)16/h4-7H,1-3H3,(H,18,21)
InChIKeyCBOBRXRQKUJGBT-UHFFFAOYSA-N
XLogP2.08
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500308.29
LogP ≤ 52.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

N-[4-(dimethylamino)-2-pyrrolidin-1-ylpyrimidin-5-yl]-2,4-difluorobenzamide
CID 91969334
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-methoxy-1-methylpyrazole-4-carboxamide
CID 122319426
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(2-fluorophenyl)acetamide
CID 122319450
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2-methoxyphenyl)urea
CID 71807636
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-7-methoxy-1-benzofuran-2-carboxamide
CID 122319384
1-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-3-(2,4-dimethylphenyl)urea
CID 122319329
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-6-ethoxypyridine-3-carboxamide
CID 122319515
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-1,3,5-trimethylpyrazole-4-carboxamide
CID 122319474
1-(3-chlorophenyl)-3-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]urea
CID 122319316
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2-(3-methoxyphenoxy)acetamide
CID 122319402
2-fluoro-N-(4-fluoro-2-iodophenyl)-4-methoxybenzamide
CID 103737180
N-(5-bromo-2-methoxyphenyl)-2,4-difluorobenzamide
CID 47317531

Frequently Asked Questions

What is the IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide?
The IUPAC name of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide (CID 122319312) is N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide.
What is the SMILES notation for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide?
The canonical SMILES for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide is COc1ncc(NC(=O)c2ccc(F)cc2F)c(N(C)C)n1.
What is the InChIKey of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide?
The InChIKey is CBOBRXRQKUJGBT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H14F2N4O2/c1-20(2)12-11(7-17-14(19-12)22-3)18-13(21)9-5-4-8(15)6-10(9)16/h4-7H,1-3H3,(H,18,21).
What are the key properties of N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide?
N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide has a molecular weight of 308.29 g/mol, XLogP of 2.08, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-(dimethylamino)-2-methoxypyrimidin-5-yl]-2,4-difluorobenzamide is sourced from PubChem (CID 122319312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).