2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide

C15H16F2N4O — CID 58872668

IUPAC2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N4O/c1-3-21(4-2)15-19-11(8-12(20-15)14(18)22)13-9(16)6-5-7-10(13)17/h5-8H,3-4H2,1-2H3,(H2,18,22)
InChIKeyNWQZFWPAVASWTO-UHFFFAOYSA-N
MW306.32 g/mol
LogP2.37
Rot. Bonds5

About 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide

2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide (PubChem CID 58872668) has the molecular formula C15H16F2N4O and a molecular weight of 306.32 g/mol. Its IUPAC name is 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide.

Molecular Properties

Compound Name2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
PubChem CID58872668
Molecular FormulaC15H16F2N4O
Molecular Weight306.32 g/mol
Exact Mass306.13
IUPAC Name2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide
SMILESCCN(CC)c1nc(C(N)=O)cc(-c2c(F)cccc2F)n1
InChIInChI=1S/C15H16F2N4O/c1-3-21(4-2)15-19-11(8-12(20-15)14(18)22)13-9(16)6-5-7-10(13)17/h5-8H,3-4H2,1-2H3,(H2,18,22)
InChIKeyNWQZFWPAVASWTO-UHFFFAOYSA-N
XLogP2.37
TPSA72.11 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500306.32
LogP ≤ 52.37
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The IUPAC name of 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide (CID 58872668) is 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide.
What is the SMILES notation for 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The canonical SMILES for 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide is CCN(CC)c1nc(C(N)=O)cc(-c2c(F)cccc2F)n1.
What is the InChIKey of 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
The InChIKey is NWQZFWPAVASWTO-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H16F2N4O/c1-3-21(4-2)15-19-11(8-12(20-15)14(18)22)13-9(16)6-5-7-10(13)17/h5-8H,3-4H2,1-2H3,(H2,18,22).
What are the key properties of 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide?
2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide has a molecular weight of 306.32 g/mol, XLogP of 2.37, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(diethylamino)-6-(2,6-difluorophenyl)pyrimidine-4-carboxamide is sourced from PubChem (CID 58872668), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).