3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide

C23H25N5O3 — CID 91968002

IUPAC3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1
InChIInChI=1S/C23H25N5O3/c1-30-20-12-17(13-21(14-20)31-2)22(29)26-18-15-24-23(25-16-18)28-10-8-27(9-11-28)19-6-4-3-5-7-19/h3-7,12-16H,8-11H2,1-2H3,(H,26,29)
InChIKeyFRVVJCKLJXTBKI-UHFFFAOYSA-N
MW419.49 g/mol
LogP3.07
Rot. Bonds6

About 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide

3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide (PubChem CID 91968002) has the molecular formula C23H25N5O3 and a molecular weight of 419.49 g/mol. Its IUPAC name is 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
PubChem CID91968002
Molecular FormulaC23H25N5O3
Molecular Weight419.49 g/mol
Exact Mass419.20
IUPAC Name3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
SMILESCOc1cc(OC)cc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1
InChIInChI=1S/C23H25N5O3/c1-30-20-12-17(13-21(14-20)31-2)22(29)26-18-15-24-23(25-16-18)28-10-8-27(9-11-28)19-6-4-3-5-7-19/h3-7,12-16H,8-11H2,1-2H3,(H,26,29)
InChIKeyFRVVJCKLJXTBKI-UHFFFAOYSA-N
XLogP3.07
TPSA79.82 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500419.49
LogP ≤ 53.07
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-bromo-5-methoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299391
3-methoxy-N-[2-(4-methylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 71790006
N-phenyl-2-(4-phenylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109261157
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
4-cyano-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 122299333
N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]quinoxaline-6-carboxamide
CID 122299402
N-[4-(4-benzylpiperazin-1-yl)phenyl]-3,5-dimethoxybenzamide
CID 1394950
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164846
4-methoxy-N-[4-(4-phenylpiperazin-1-yl)phenyl]benzamide
CID 112983942
3,4,5-trimethoxy-N-[2-(4-pyridin-2-ylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 121112859
3,5-dimethoxy-N-[6-(4-methylpiperazin-1-yl)-3-pyridinyl]benzamide
CID 17461264
1-(4-methylphenyl)-3-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]urea
CID 91968160

Frequently Asked Questions

What is the IUPAC name of 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The IUPAC name of 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide (CID 91968002) is 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide.
What is the SMILES notation for 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The canonical SMILES for 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide is COc1cc(OC)cc(C(=O)Nc2cnc(N3CCN(c4ccccc4)CC3)nc2)c1.
What is the InChIKey of 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
The InChIKey is FRVVJCKLJXTBKI-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H25N5O3/c1-30-20-12-17(13-21(14-20)31-2)22(29)26-18-15-24-23(25-16-18)28-10-8-27(9-11-28)19-6-4-3-5-7-19/h3-7,12-16H,8-11H2,1-2H3,(H,26,29).
What are the key properties of 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide?
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide has a molecular weight of 419.49 g/mol, XLogP of 3.07, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide is sourced from PubChem (CID 91968002), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).