2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide

C18H24N4O3 — CID 72839360

IUPAC2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)c1cnc(N(C)C)nc1C
InChIInChI=1S/C18H24N4O3/c1-5-22(11-16(24)13-7-6-8-14(23)9-13)17(25)15-10-19-18(21(3)4)20-12(15)2/h6-10,16,23-24H,5,11H2,1-4H3
InChIKeyIOMCFKRYMYEZDR-UHFFFAOYSA-N
MW344.42 g/mol
LogP1.75
Rot. Bonds6

About 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide

2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide (PubChem CID 72839360) has the molecular formula C18H24N4O3 and a molecular weight of 344.42 g/mol. Its IUPAC name is 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide.

Molecular Properties

Compound Name2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
PubChem CID72839360
Molecular FormulaC18H24N4O3
Molecular Weight344.42 g/mol
Exact Mass344.18
IUPAC Name2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide
SMILESCCN(CC(O)c1cccc(O)c1)C(=O)c1cnc(N(C)C)nc1C
InChIInChI=1S/C18H24N4O3/c1-5-22(11-16(24)13-7-6-8-14(23)9-13)17(25)15-10-19-18(21(3)4)20-12(15)2/h6-10,16,23-24H,5,11H2,1-4H3
InChIKeyIOMCFKRYMYEZDR-UHFFFAOYSA-N
XLogP1.75
TPSA89.79 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.42
LogP ≤ 51.75
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N,2-diethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methyl-1,3-oxazole-5-carboxamide
CID 77088649
2-(dimethylamino)-N-[3-hydroxy-3-(3-hydroxyphenyl)propyl]-4-phenylpyrimidine-5-carboxamide
CID 11338343
1-ethyl-1-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(5-methylpyrazin-2-yl)methyl]urea
CID 126443994
N-ethyl-5-(3-fluorophenyl)-N-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-1H-pyrazole-4-carboxamide
CID 97132375
N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-2-methyl-1H-pyrrolo[2,3-b]pyridine-3-carboxamide
CID 166386141
1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[(1-propan-2-ylcyclopropyl)methyl]urea
CID 125448091
3-[2-[(4-amino-5-nitropyrimidin-2-yl)-ethylamino]-1-hydroxyethyl]phenol
CID 56761858
3-(4,5-dimethyl-1H-pyrazol-3-yl)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]propanamide
CID 74241711
[4-(2-chlorophenyl)-2-(dimethylamino)pyrimidin-5-yl] N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-N-methylcarbamate
CID 68848185
[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-methylcarbamic acid
CID 67420413
1-ethyl-1-[(2S)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-pyrazol-4-yl)ethyl]urea
CID 126427016
1-ethyl-1-[(2R)-2-hydroxy-2-(3-hydroxyphenyl)ethyl]-3-[2-(1H-imidazol-5-yl)ethyl]urea
CID 126439923

Frequently Asked Questions

What is the IUPAC name of 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The IUPAC name of 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide (CID 72839360) is 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide.
What is the SMILES notation for 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The canonical SMILES for 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide is CCN(CC(O)c1cccc(O)c1)C(=O)c1cnc(N(C)C)nc1C.
What is the InChIKey of 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
The InChIKey is IOMCFKRYMYEZDR-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H24N4O3/c1-5-22(11-16(24)13-7-6-8-14(23)9-13)17(25)15-10-19-18(21(3)4)20-12(15)2/h6-10,16,23-24H,5,11H2,1-4H3.
What are the key properties of 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide?
2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide has a molecular weight of 344.42 g/mol, XLogP of 1.75, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(dimethylamino)-N-ethyl-N-[2-hydroxy-2-(3-hydroxyphenyl)ethyl]-4-methylpyrimidine-5-carboxamide is sourced from PubChem (CID 72839360), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).