N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride

C17H21ClN4O3 — CID 137028895

IUPACN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3COCCN3)c2)n1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-2-12-9-15(22)21-16(19-12)11-4-3-5-13(8-11)20-17(23)14-10-24-7-6-18-14;/h3-5,8-9,14,18H,2,6-7,10H2,1H3,(H,20,23)(H,19,21,22);1H
InChIKeyLFXFNFCHVJOYPB-UHFFFAOYSA-N
MW364.83 g/mol
LogP1.35
Rot. Bonds4

About N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride

N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride (PubChem CID 137028895) has the molecular formula C17H21ClN4O3 and a molecular weight of 364.83 g/mol. Its IUPAC name is N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride.

Molecular Properties

Compound NameN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
PubChem CID137028895
Molecular FormulaC17H21ClN4O3
Molecular Weight364.83 g/mol
Exact Mass364.13
IUPAC NameN-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride
SMILESCCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3COCCN3)c2)n1.Cl
InChIInChI=1S/C17H20N4O3.ClH/c1-2-12-9-15(22)21-16(19-12)11-4-3-5-13(8-11)20-17(23)14-10-24-7-6-18-14;/h3-5,8-9,14,18H,2,6-7,10H2,1H3,(H,20,23)(H,19,21,22);1H
InChIKeyLFXFNFCHVJOYPB-UHFFFAOYSA-N
XLogP1.35
TPSA96.11 Ų
H-Bond Donors3
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500364.83
LogP ≤ 51.35
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 105

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Related Compounds

N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]pyrrolidine-2-carboxamide;hydrochloride
CID 137094562
3-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide
CID 137028902
N-[3-(1H-imidazol-2-yl)phenyl]morpholine-3-carboxamide
CID 119871893
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-3,5-dimethyladamantane-1-carboxamide
CID 136963161
2-chloro-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]acetamide
CID 146083065
N-(3-methylphenyl)morpholine-3-carboxamide;hydrochloride
CID 119670415
N-(3-ethylsulfanylphenyl)morpholine-3-carboxamide
CID 119787005
1-amino-N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]cyclopentane-1-carboxamide;hydrochloride
CID 137094564
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-methoxypiperidine-4-carboxamide;hydrochloride
CID 137028921
N-[3-(cyclopropanecarbonylamino)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119710451
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]-4-(methylamino)butanamide;hydrochloride
CID 137028897
N-[3-(5-cyclopropyl-1H-1,2,4-triazol-3-yl)phenyl]morpholine-3-carboxamide;hydrochloride
CID 119763577

Frequently Asked Questions

What is the IUPAC name of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The IUPAC name of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride (CID 137028895) is N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride.
What is the SMILES notation for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The canonical SMILES for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride is CCc1cc(=O)[nH]c(-c2cccc(NC(=O)C3COCCN3)c2)n1.Cl.
What is the InChIKey of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
The InChIKey is LFXFNFCHVJOYPB-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O3.ClH/c1-2-12-9-15(22)21-16(19-12)11-4-3-5-13(8-11)20-17(23)14-10-24-7-6-18-14;/h3-5,8-9,14,18H,2,6-7,10H2,1H3,(H,20,23)(H,19,21,22);1H.
What are the key properties of N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride?
N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride has a molecular weight of 364.83 g/mol, XLogP of 1.35, 4 rotatable bonds, 3 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for N-[3-(4-ethyl-6-oxo-1H-pyrimidin-2-yl)phenyl]morpholine-3-carboxamide;hydrochloride is sourced from PubChem (CID 137028895), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).