3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide

C17H21N5O2 — CID 66509789

IUPAC3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CNCCO2)n1
InChIInChI=1S/C17H21N5O2/c1-22(2)17-20-9-13(11-4-3-5-12(8-11)16(18)23)15(21-17)14-10-19-6-7-24-14/h3-5,8-9,14,19H,6-7,10H2,1-2H3,(H2,18,23)
InChIKeyINBRBQPVPZJDBU-UHFFFAOYSA-N
MW327.39 g/mol
LogP0.97
Rot. Bonds4

About 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide

3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide (PubChem CID 66509789) has the molecular formula C17H21N5O2 and a molecular weight of 327.39 g/mol. Its IUPAC name is 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide.

Molecular Properties

Compound Name3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide
PubChem CID66509789
Molecular FormulaC17H21N5O2
Molecular Weight327.39 g/mol
Exact Mass327.17
IUPAC Name3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide
SMILESCN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CNCCO2)n1
InChIInChI=1S/C17H21N5O2/c1-22(2)17-20-9-13(11-4-3-5-12(8-11)16(18)23)15(21-17)14-10-19-6-7-24-14/h3-5,8-9,14,19H,6-7,10H2,1-2H3,(H2,18,23)
InChIKeyINBRBQPVPZJDBU-UHFFFAOYSA-N
XLogP0.97
TPSA93.37 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500327.39
LogP ≤ 50.97
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide?
The IUPAC name of 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide (CID 66509789) is 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide.
What is the SMILES notation for 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide?
The canonical SMILES for 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide is CN(C)c1ncc(-c2cccc(C(N)=O)c2)c(C2CNCCO2)n1.
What is the InChIKey of 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide?
The InChIKey is INBRBQPVPZJDBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H21N5O2/c1-22(2)17-20-9-13(11-4-3-5-12(8-11)16(18)23)15(21-17)14-10-19-6-7-24-14/h3-5,8-9,14,19H,6-7,10H2,1-2H3,(H2,18,23).
What are the key properties of 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide?
3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide has a molecular weight of 327.39 g/mol, XLogP of 0.97, 4 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[2-(dimethylamino)-4-morpholin-2-ylpyrimidin-5-yl]benzamide is sourced from PubChem (CID 66509789), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).