4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide

C20H20N4O3 — CID 22142652

IUPAC4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide
SMILESCOc1cccc(OC)c1CNc1nccc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-26-17-4-3-5-18(27-2)15(17)12-23-20-22-11-10-16(24-20)13-6-8-14(9-7-13)19(21)25/h3-11H,12H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyILUBZERLFZVONF-UHFFFAOYSA-N
MW364.41 g/mol
LogP2.87
Rot. Bonds7

About 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide

4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide (PubChem CID 22142652) has the molecular formula C20H20N4O3 and a molecular weight of 364.41 g/mol. Its IUPAC name is 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide.

Molecular Properties

Compound Name4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide
PubChem CID22142652
Molecular FormulaC20H20N4O3
Molecular Weight364.41 g/mol
Exact Mass364.15
IUPAC Name4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide
SMILESCOc1cccc(OC)c1CNc1nccc(-c2ccc(C(N)=O)cc2)n1
InChIInChI=1S/C20H20N4O3/c1-26-17-4-3-5-18(27-2)15(17)12-23-20-22-11-10-16(24-20)13-6-8-14(9-7-13)19(21)25/h3-11H,12H2,1-2H3,(H2,21,25)(H,22,23,24)
InChIKeyILUBZERLFZVONF-UHFFFAOYSA-N
XLogP2.87
TPSA99.36 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.41
LogP ≤ 52.87
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

4-[2-(pyridin-4-ylmethylamino)pyrimidin-4-yl]benzamide
CID 22142690
4-[2-[3-(3-bromophenoxy)propylamino]pyrimidin-4-yl]benzamide
CID 22143006
4-[2-[2-(pyridin-2-ylamino)ethylamino]pyrimidin-4-yl]benzamide;N'-pyridin-2-ylethane-1,2-diamine
CID 70205206
4-[2-[3-[3-(trifluoromethyl)phenoxy]propylamino]pyrimidin-4-yl]benzamide
CID 22142551
N'-[4-(3,4-dimethoxyphenyl)pyrimidin-2-yl]ethane-1,2-diamine
CID 103278920
4-[2-(1-naphthalen-2-yloxypropylamino)pyrimidin-4-yl]benzamide
CID 22143028
4-[(4-pyridin-4-ylpyrimidin-2-yl)amino]benzamide
CID 69235477
4-[2-[2-(2-oxo-1,3-benzodioxol-5-yl)ethylamino]pyrimidin-4-yl]benzamide
CID 174426757
(2S)-2-hydroxy-3-[[4-(4-methoxyphenyl)pyrimidin-2-yl]amino]-2-methylpropanoic acid
CID 129470512
4-[[4-(4-pyrrol-1-ylphenyl)pyrimidin-2-yl]amino]benzamide
CID 58599454
4-[2-[3-[(5-nitro-2-pyridinyl)amino]propylamino]pyrimidin-4-yl]benzamide
CID 22142855
4-(2-aminopyrimidin-4-yl)benzamide;2-(pyridin-2-ylamino)acetonitrile
CID 174450012

Frequently Asked Questions

What is the IUPAC name of 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide?
The IUPAC name of 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide (CID 22142652) is 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide.
What is the SMILES notation for 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide?
The canonical SMILES for 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide is COc1cccc(OC)c1CNc1nccc(-c2ccc(C(N)=O)cc2)n1.
What is the InChIKey of 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide?
The InChIKey is ILUBZERLFZVONF-UHFFFAOYSA-N. The full InChI is InChI=1S/C20H20N4O3/c1-26-17-4-3-5-18(27-2)15(17)12-23-20-22-11-10-16(24-20)13-6-8-14(9-7-13)19(21)25/h3-11H,12H2,1-2H3,(H2,21,25)(H,22,23,24).
What are the key properties of 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide?
4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide has a molecular weight of 364.41 g/mol, XLogP of 2.87, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-[(2,6-dimethoxyphenyl)methylamino]pyrimidin-4-yl]benzamide is sourced from PubChem (CID 22142652), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).