2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide

C18H20N4O3 — CID 16677947

IUPAC2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide
SMILESC=CCOc1ccccc1NC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H20N4O3/c1-2-9-25-16-6-4-3-5-15(16)21-17(23)14-12-19-18(20-13-14)22-7-10-24-11-8-22/h2-6,12-13H,1,7-11H2,(H,21,23)
InChIKeyVESGVLCWDACWCK-UHFFFAOYSA-N
MW340.38 g/mol
LogP2.13
Rot. Bonds6

About 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide

2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide (PubChem CID 16677947) has the molecular formula C18H20N4O3 and a molecular weight of 340.38 g/mol. Its IUPAC name is 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide
PubChem CID16677947
Molecular FormulaC18H20N4O3
Molecular Weight340.38 g/mol
Exact Mass340.15
IUPAC Name2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide
SMILESC=CCOc1ccccc1NC(=O)c1cnc(N2CCOCC2)nc1
InChIInChI=1S/C18H20N4O3/c1-2-9-25-16-6-4-3-5-15(16)21-17(23)14-12-19-18(20-13-14)22-7-10-24-11-8-22/h2-6,12-13H,1,7-11H2,(H,21,23)
InChIKeyVESGVLCWDACWCK-UHFFFAOYSA-N
XLogP2.13
TPSA76.58 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500340.38
LogP ≤ 52.13
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'isolated_alkene', 'substructure': 'N/A'}

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Related Compounds

2-morpholin-4-yl-N-(2-phenoxyphenyl)pyrimidine-5-carboxamide
CID 109252305
N-(2-ethoxyphenyl)-2-(4-formylpiperazin-1-yl)pyrimidine-5-carboxamide
CID 109254553
methyl 2-[(2-morpholin-4-ylpyrimidine-5-carbonyl)amino]benzoate
CID 109252285
2-(4-methylpiperazin-1-yl)-N-(2-morpholin-4-ylphenyl)pyrimidine-5-carboxamide
CID 109253956
N-(2-propan-2-yloxyphenyl)-2-pyrrolidin-1-ylpyrimidine-5-carboxamide
CID 109249470
4-tert-butyl-N-(2-prop-2-enoxyphenyl)benzamide
CID 17097960
2-(4-acetylpiperazin-1-yl)-N-(2-propan-2-yloxyphenyl)pyrimidine-5-carboxamide
CID 109254832
4-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299046
2-(4-formylpiperazin-1-yl)-N-(2-methylphenyl)pyrimidine-5-carboxamide
CID 109254513
N-(3-methylphenyl)-2-morpholin-4-ylpyrimidine-5-carboxamide
CID 20959447
3-methyl-N-(2-prop-2-enoxyphenyl)-1,2-oxazole-5-carboxamide
CID 43911392
2-iodo-N-(2-morpholin-4-ylpyrimidin-5-yl)benzamide
CID 122299045

Frequently Asked Questions

What is the IUPAC name of 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide?
The IUPAC name of 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide (CID 16677947) is 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide.
What is the SMILES notation for 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide?
The canonical SMILES for 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide is C=CCOc1ccccc1NC(=O)c1cnc(N2CCOCC2)nc1.
What is the InChIKey of 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide?
The InChIKey is VESGVLCWDACWCK-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H20N4O3/c1-2-9-25-16-6-4-3-5-15(16)21-17(23)14-12-19-18(20-13-14)22-7-10-24-11-8-22/h2-6,12-13H,1,7-11H2,(H,21,23).
What are the key properties of 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide?
2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide has a molecular weight of 340.38 g/mol, XLogP of 2.13, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-morpholin-4-yl-N-(2-prop-2-enoxyphenyl)pyrimidine-5-carboxamide is sourced from PubChem (CID 16677947), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).