N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide

C19H24FN5O — CID 126797768

IUPACN-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(CNC(=O)c2ccc(N3CCN(C)CC3)c(F)c2)nc(C)n1
InChIInChI=1S/C19H24FN5O/c1-13-10-16(23-14(2)22-13)12-21-19(26)15-4-5-18(17(20)11-15)25-8-6-24(3)7-9-25/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,26)
InChIKeyQZBNLXWDFWYJBC-UHFFFAOYSA-N
MW357.43 g/mol
LogP1.91
Rot. Bonds4

About N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide

N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide (PubChem CID 126797768) has the molecular formula C19H24FN5O and a molecular weight of 357.43 g/mol. Its IUPAC name is N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide.

Molecular Properties

Compound NameN-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide
PubChem CID126797768
Molecular FormulaC19H24FN5O
Molecular Weight357.43 g/mol
Exact Mass357.20
IUPAC NameN-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide
SMILESCc1cc(CNC(=O)c2ccc(N3CCN(C)CC3)c(F)c2)nc(C)n1
InChIInChI=1S/C19H24FN5O/c1-13-10-16(23-14(2)22-13)12-21-19(26)15-4-5-18(17(20)11-15)25-8-6-24(3)7-9-25/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,26)
InChIKeyQZBNLXWDFWYJBC-UHFFFAOYSA-N
XLogP1.91
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500357.43
LogP ≤ 51.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide?
The IUPAC name of N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide (CID 126797768) is N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide.
What is the SMILES notation for N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide?
The canonical SMILES for N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide is Cc1cc(CNC(=O)c2ccc(N3CCN(C)CC3)c(F)c2)nc(C)n1.
What is the InChIKey of N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide?
The InChIKey is QZBNLXWDFWYJBC-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24FN5O/c1-13-10-16(23-14(2)22-13)12-21-19(26)15-4-5-18(17(20)11-15)25-8-6-24(3)7-9-25/h4-5,10-11H,6-9,12H2,1-3H3,(H,21,26).
What are the key properties of N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide?
N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide has a molecular weight of 357.43 g/mol, XLogP of 1.91, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[(2,6-dimethylpyrimidin-4-yl)methyl]-3-fluoro-4-(4-methylpiperazin-1-yl)benzamide is sourced from PubChem (CID 126797768), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).