N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

C17H20N4O4 — CID 154843375

IUPACN-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCOc1cc(O)ccc1NC(=O)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H20N4O4/c1-2-25-15-9-12(22)3-4-13(15)20-17(23)14-10-16(19-11-18-14)21-5-7-24-8-6-21/h3-4,9-11,22H,2,5-8H2,1H3,(H,20,23)
InChIKeyUQMTUSKTCXURTL-UHFFFAOYSA-N
MW344.37 g/mol
LogP1.67
Rot. Bonds5

About N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide

N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (PubChem CID 154843375) has the molecular formula C17H20N4O4 and a molecular weight of 344.37 g/mol. Its IUPAC name is N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.

Molecular Properties

Compound NameN-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
PubChem CID154843375
Molecular FormulaC17H20N4O4
Molecular Weight344.37 g/mol
Exact Mass344.15
IUPAC NameN-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
SMILESCCOc1cc(O)ccc1NC(=O)c1cc(N2CCOCC2)ncn1
InChIInChI=1S/C17H20N4O4/c1-2-25-15-9-12(22)3-4-13(15)20-17(23)14-10-16(19-11-18-14)21-5-7-24-8-6-21/h3-4,9-11,22H,2,5-8H2,1H3,(H,20,23)
InChIKeyUQMTUSKTCXURTL-UHFFFAOYSA-N
XLogP1.67
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.37
LogP ≤ 51.67
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

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

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Related Compounds

N-(2-ethyl-6-methylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343494
N-(4-tert-butylphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343498
N-(2,4-dioxo-1H-pyrimidin-5-yl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 91816468
6-morpholin-4-yl-N-pyridin-3-ylpyrimidine-4-carboxamide
CID 91816399
N-(4-cyanophenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 109343519
6-(4-acetylpiperazin-1-yl)-N-(2,4-dimethoxyphenyl)pyrimidine-4-carboxamide
CID 109345953
3,4-dichloro-N-(2,5-diethoxy-4-morpholin-4-ylphenyl)benzamide
CID 4853152
N-[4-chloro-3-(difluoromethoxy)phenyl]-6-morpholin-4-ylpyrimidine-4-carboxamide
CID 139021619
N-(2,5-diethoxy-4-morpholin-4-ylphenyl)-1-methyl-6-oxopyridazine-3-carboxamide
CID 2469905
N-(2-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4-carboxamide
CID 109342253
ethyl 4-[6-[(2-chlorophenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352823
ethyl 4-[6-[(2,5-dimethylphenyl)carbamoyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 109352809

Frequently Asked Questions

What is the IUPAC name of N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The IUPAC name of N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide (CID 154843375) is N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide.
What is the SMILES notation for N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The canonical SMILES for N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is CCOc1cc(O)ccc1NC(=O)c1cc(N2CCOCC2)ncn1.
What is the InChIKey of N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
The InChIKey is UQMTUSKTCXURTL-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H20N4O4/c1-2-25-15-9-12(22)3-4-13(15)20-17(23)14-10-16(19-11-18-14)21-5-7-24-8-6-21/h3-4,9-11,22H,2,5-8H2,1H3,(H,20,23).
What are the key properties of N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide?
N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide has a molecular weight of 344.37 g/mol, XLogP of 1.67, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-(2-ethoxy-4-hydroxyphenyl)-6-morpholin-4-ylpyrimidine-4-carboxamide is sourced from PubChem (CID 154843375), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).