2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

C16H18FN5O — CID 90543726

IUPAC2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCN1CCN(c2cc(NC(=O)c3ccccc3F)ncn2)CC1
InChIInChI=1S/C16H18FN5O/c1-21-6-8-22(9-7-21)15-10-14(18-11-19-15)20-16(23)12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3,(H,18,19,20,23)
InChIKeyNILSDRUBPBANGM-UHFFFAOYSA-N
MW315.35 g/mol
LogP1.62
Rot. Bonds3

About 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide

2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (PubChem CID 90543726) has the molecular formula C16H18FN5O and a molecular weight of 315.35 g/mol. Its IUPAC name is 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
PubChem CID90543726
Molecular FormulaC16H18FN5O
Molecular Weight315.35 g/mol
Exact Mass315.15
IUPAC Name2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
SMILESCN1CCN(c2cc(NC(=O)c3ccccc3F)ncn2)CC1
InChIInChI=1S/C16H18FN5O/c1-21-6-8-22(9-7-21)15-10-14(18-11-19-15)20-16(23)12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3,(H,18,19,20,23)
InChIKeyNILSDRUBPBANGM-UHFFFAOYSA-N
XLogP1.62
TPSA61.36 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500315.35
LogP ≤ 51.62
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

2-fluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545166
2-methoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543765
2-ethoxy-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543723
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyridazin-3-yl]benzamide
CID 113040220
2,4-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90543966
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]pyrimidine-2-carboxamide
CID 90543989
1-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylurea
CID 90544020
2,5-dimethyl-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]furan-3-carboxamide
CID 90543838
2,6-difluoro-N-[6-(4-phenylpiperazin-1-yl)pyrimidin-4-yl]benzamide
CID 90545341
1-(3,4-difluorophenyl)-3-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]urea
CID 90544036
2-methylsulfanyl-N-(6-piperidin-1-ylpyrimidin-4-yl)benzamide
CID 90544631
N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]-3-phenylpropanamide
CID 90543791

Frequently Asked Questions

What is the IUPAC name of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The IUPAC name of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide (CID 90543726) is 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide.
What is the SMILES notation for 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The canonical SMILES for 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is CN1CCN(c2cc(NC(=O)c3ccccc3F)ncn2)CC1.
What is the InChIKey of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
The InChIKey is NILSDRUBPBANGM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18FN5O/c1-21-6-8-22(9-7-21)15-10-14(18-11-19-15)20-16(23)12-4-2-3-5-13(12)17/h2-5,10-11H,6-9H2,1H3,(H,18,19,20,23).
What are the key properties of 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide?
2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide has a molecular weight of 315.35 g/mol, XLogP of 1.62, 3 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-fluoro-N-[6-(4-methylpiperazin-1-yl)pyrimidin-4-yl]benzamide is sourced from PubChem (CID 90543726), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).