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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Related Compounds

2-(2-(2-((4-(Morpholin-2-yl)phenyl)-amino)-5-(trifluoromethyl)pyrimidin-4-yl-ethyl)phenyl)acetamide
CID 60164700
N-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)-2-(pyridin-3-yl)acetamide
CID 11846799
N-(4-{2,4-diamino-6-[(benzyloxy)methyl]pyrimidin-5-yl}phenyl)pyridine-4-carboxamide
CID 11846630
N-[2,2-difluoro-2-[2-(2-methoxypyrimidin-5-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71451084
Ethyl 3-[(4-pyridin-2-ylpyrimidin-2-yl)amino]benzoate
CID 14722177
N-[2-[2-(2-methylpyrimidin-5-yl)phenyl]ethyl]-6-(2,2,2-trifluoroethoxymethyl)pyridine-3-carboxamide
CID 71452900
Ethyl 3-(4-(pyridin-3-yl)pyrimidin-2-ylamino)benzoate
CID 14722178
N-methyl-2-[4-[(2R)-morpholin-2-yl]anilino]pyrimidine-5-carboxamide
CID 68325489
N-methyl-2-[4-[(2S)-morpholin-2-yl]anilino]pyrimidine-5-carboxamide
CID 68325636
Ethyl 3-[3-[[4-(trifluoromethyl)pyrimidin-2-yl]amino]phenyl]benzoate
CID 129010753
Methyl 4-(((4-(pyridin-3-yl)pyrimidin-2-yl)amino)methyl)benzoate
CID 20785943
Ethyl 4-(4-cyclopropaneamidophenyl)-2-(morpholin-4-yl)pyrimidine-5-carboxylate
CID 172879836

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).