methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate

C19H23N5O4 — CID 109344521

IUPACmethyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(NCCN3CCOCC3)ncn2)cc1
InChIInChI=1S/C19H23N5O4/c1-27-19(26)14-2-4-15(5-3-14)23-18(25)16-12-17(22-13-21-16)20-6-7-24-8-10-28-11-9-24/h2-5,12-13H,6-11H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyLONZCVUFVDTBDX-UHFFFAOYSA-N
MW385.42 g/mol
LogP1.26
Rot. Bonds7

About methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate

methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate (PubChem CID 109344521) has the molecular formula C19H23N5O4 and a molecular weight of 385.42 g/mol. Its IUPAC name is methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate.

Molecular Properties

Compound Namemethyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
PubChem CID109344521
Molecular FormulaC19H23N5O4
Molecular Weight385.42 g/mol
Exact Mass385.18
IUPAC Namemethyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
SMILESCOC(=O)c1ccc(NC(=O)c2cc(NCCN3CCOCC3)ncn2)cc1
InChIInChI=1S/C19H23N5O4/c1-27-19(26)14-2-4-15(5-3-14)23-18(25)16-12-17(22-13-21-16)20-6-7-24-8-10-28-11-9-24/h2-5,12-13H,6-11H2,1H3,(H,23,25)(H,20,21,22)
InChIKeyLONZCVUFVDTBDX-UHFFFAOYSA-N
XLogP1.26
TPSA105.68 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds7
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.42
LogP ≤ 51.26
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate with MolForge

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Related Compounds

N-(4-ethylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344479
N-(4-tert-butylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344488
N-(3,4-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344511
methyl 4-[[2-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109301520
methyl 4-[[6-(3-methylbutylamino)pyrimidine-4-carbonyl]amino]benzoate
CID 109354250
N-(2,5-dimethoxyphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344509
N-(5-chloro-2-methylphenyl)-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109344495
ethyl 4-[[5-(2-morpholin-4-ylethylamino)pyrazine-2-carbonyl]amino]benzoate
CID 109277715
6-(2-morpholin-4-ylethylamino)-N-[3-(trifluoromethyl)phenyl]pyrimidine-4-carboxamide
CID 109344513
methyl 4-[[6-[2-(cyclohexen-1-yl)ethylamino]pyrimidine-4-carbonyl]amino]benzoate
CID 109342605
N-(4-acetylphenyl)-5-(2-morpholin-4-ylethylamino)pyrazine-2-carboxamide
CID 109277702
N-(4-acetamidophenyl)-2-methyl-6-(2-morpholin-4-ylethylamino)pyrimidine-4-carboxamide
CID 109366426

Frequently Asked Questions

What is the IUPAC name of methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate?
The IUPAC name of methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate (CID 109344521) is methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate.
What is the SMILES notation for methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate?
The canonical SMILES for methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate is COC(=O)c1ccc(NC(=O)c2cc(NCCN3CCOCC3)ncn2)cc1.
What is the InChIKey of methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate?
The InChIKey is LONZCVUFVDTBDX-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H23N5O4/c1-27-19(26)14-2-4-15(5-3-14)23-18(25)16-12-17(22-13-21-16)20-6-7-24-8-10-28-11-9-24/h2-5,12-13H,6-11H2,1H3,(H,23,25)(H,20,21,22).
What are the key properties of methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate?
methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate has a molecular weight of 385.42 g/mol, XLogP of 1.26, 7 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[6-(2-morpholin-4-ylethylamino)pyrimidine-4-carbonyl]amino]benzoate is sourced from PubChem (CID 109344521), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).