3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide

C16H18N4O2 — CID 110257855

IUPAC3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(N)=O)c2)cc(C2COCCN2)n1
InChIInChI=1S/C16H18N4O2/c1-10-19-13(11-3-2-4-12(7-11)16(17)21)8-14(20-10)15-9-22-6-5-18-15/h2-4,7-8,15,18H,5-6,9H2,1H3,(H2,17,21)
InChIKeyCXSSHBREAKKWAU-UHFFFAOYSA-N
MW298.35 g/mol
LogP1.21
Rot. Bonds3

About 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide

3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide (PubChem CID 110257855) has the molecular formula C16H18N4O2 and a molecular weight of 298.35 g/mol. Its IUPAC name is 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide.

Molecular Properties

Compound Name3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide
PubChem CID110257855
Molecular FormulaC16H18N4O2
Molecular Weight298.35 g/mol
Exact Mass298.14
IUPAC Name3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide
SMILESCc1nc(-c2cccc(C(N)=O)c2)cc(C2COCCN2)n1
InChIInChI=1S/C16H18N4O2/c1-10-19-13(11-3-2-4-12(7-11)16(17)21)8-14(20-10)15-9-22-6-5-18-15/h2-4,7-8,15,18H,5-6,9H2,1H3,(H2,17,21)
InChIKeyCXSSHBREAKKWAU-UHFFFAOYSA-N
XLogP1.21
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500298.35
LogP ≤ 51.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide?
The IUPAC name of 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide (CID 110257855) is 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide.
What is the SMILES notation for 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide?
The canonical SMILES for 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide is Cc1nc(-c2cccc(C(N)=O)c2)cc(C2COCCN2)n1.
What is the InChIKey of 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide?
The InChIKey is CXSSHBREAKKWAU-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O2/c1-10-19-13(11-3-2-4-12(7-11)16(17)21)8-14(20-10)15-9-22-6-5-18-15/h2-4,7-8,15,18H,5-6,9H2,1H3,(H2,17,21).
What are the key properties of 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide?
3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide has a molecular weight of 298.35 g/mol, XLogP of 1.21, 3 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(2-methyl-6-morpholin-3-ylpyrimidin-4-yl)benzamide is sourced from PubChem (CID 110257855), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).