4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

C16H18N4O3 — CID 53164846

IUPAC4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C16H18N4O3/c1-22-14-4-2-12(3-5-14)15(21)19-13-10-17-16(18-11-13)20-6-8-23-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,21)
InChIKeyTZWREVBYDNBBGX-UHFFFAOYSA-N
MW314.35 g/mol
LogP1.57
Rot. Bonds4

About 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide

4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (PubChem CID 53164846) has the molecular formula C16H18N4O3 and a molecular weight of 314.35 g/mol. Its IUPAC name is 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.

Molecular Properties

Compound Name4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
PubChem CID53164846
Molecular FormulaC16H18N4O3
Molecular Weight314.35 g/mol
Exact Mass314.14
IUPAC Name4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
SMILESCOc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1
InChIInChI=1S/C16H18N4O3/c1-22-14-4-2-12(3-5-14)15(21)19-13-10-17-16(18-11-13)20-6-8-23-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,21)
InChIKeyTZWREVBYDNBBGX-UHFFFAOYSA-N
XLogP1.57
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms23
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500314.35
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
4-ethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164786
N-(2-morpholin-4-ylpyrimidin-5-yl)-4-(trifluoromethyl)benzamide
CID 53164816
N-(4-methoxyphenyl)-2-piperidin-1-ylpyrimidine-5-carboxamide
CID 109250209
3,5-dimethoxy-N-[2-(4-phenylpiperazin-1-yl)pyrimidin-5-yl]benzamide
CID 91968002
4-methyl-N-(2-pyrrolidin-1-ylpyrimidin-5-yl)benzamide
CID 53014756
6-cyclopentyloxy-N-(2-morpholin-4-ylpyrimidin-5-yl)pyridine-3-carboxamide
CID 122298955
1-(4-methoxyphenyl)-3-(2-piperidin-1-ylpyrimidin-5-yl)urea
CID 122298472
N-(3,5-dimethoxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 20959323
2,5-dimethyl-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 53164782
4-phenoxy-N-(2-piperidin-1-ylpyrimidin-5-yl)benzamide
CID 122298612
N-[6-(azepan-1-yl)-3-pyridinyl]-4-methoxybenzamide
CID 113015890

Frequently Asked Questions

What is the IUPAC name of 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The IUPAC name of 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide (CID 53164846) is 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide.
What is the SMILES notation for 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The canonical SMILES for 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is COc1ccc(C(=O)Nc2cnc(N3CCOCC3)nc2)cc1.
What is the InChIKey of 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
The InChIKey is TZWREVBYDNBBGX-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H18N4O3/c1-22-14-4-2-12(3-5-14)15(21)19-13-10-17-16(18-11-13)20-6-8-23-9-7-20/h2-5,10-11H,6-9H2,1H3,(H,19,21).
What are the key properties of 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide?
4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide has a molecular weight of 314.35 g/mol, XLogP of 1.57, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methoxy-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide is sourced from PubChem (CID 53164846), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).