4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide

C14H15FN4O — CID 39796856

IUPAC4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide
SMILESCNc1nc(-c2ccc(C(=O)N(C)C)cc2)ncc1F
InChIInChI=1S/C14H15FN4O/c1-16-13-11(15)8-17-12(18-13)9-4-6-10(7-5-9)14(20)19(2)3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyIVIDOKBNTXLREC-UHFFFAOYSA-N
MW274.30 g/mol
LogP2.03
Rot. Bonds3

About 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide

4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide (PubChem CID 39796856) has the molecular formula C14H15FN4O and a molecular weight of 274.30 g/mol. Its IUPAC name is 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide.

Molecular Properties

Compound Name4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide
PubChem CID39796856
Molecular FormulaC14H15FN4O
Molecular Weight274.30 g/mol
Exact Mass274.12
IUPAC Name4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide
SMILESCNc1nc(-c2ccc(C(=O)N(C)C)cc2)ncc1F
InChIInChI=1S/C14H15FN4O/c1-16-13-11(15)8-17-12(18-13)9-4-6-10(7-5-9)14(20)19(2)3/h4-8H,1-3H3,(H,16,17,18)
InChIKeyIVIDOKBNTXLREC-UHFFFAOYSA-N
XLogP2.03
TPSA58.12 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500274.30
LogP ≤ 52.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
The IUPAC name of 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide (CID 39796856) is 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide.
What is the SMILES notation for 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
The canonical SMILES for 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide is CNc1nc(-c2ccc(C(=O)N(C)C)cc2)ncc1F.
What is the InChIKey of 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
The InChIKey is IVIDOKBNTXLREC-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H15FN4O/c1-16-13-11(15)8-17-12(18-13)9-4-6-10(7-5-9)14(20)19(2)3/h4-8H,1-3H3,(H,16,17,18).
What are the key properties of 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide?
4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide has a molecular weight of 274.30 g/mol, XLogP of 2.03, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[5-fluoro-4-(methylamino)pyrimidin-2-yl]-N,N-dimethylbenzamide is sourced from PubChem (CID 39796856), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).