1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea

C19H24N6O2 — CID 40818946

IUPAC1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc([C@H](C)NC(=O)NCc2nnc3nc(C)cc(C)n23)cc1
InChIInChI=1S/C19H24N6O2/c1-5-27-16-8-6-15(7-9-16)14(4)22-19(26)20-11-17-23-24-18-21-12(2)10-13(3)25(17)18/h6-10,14H,5,11H2,1-4H3,(H2,20,22,26)/t14-/m0/s1
InChIKeyKWPJRGYQZSQAAT-AWEZNQCLSA-N
MW368.44 g/mol
LogP2.70
Rot. Bonds6

About 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea

1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea (PubChem CID 40818946) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea.

Molecular Properties

Compound Name1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
PubChem CID40818946
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
SMILESCCOc1ccc([C@H](C)NC(=O)NCc2nnc3nc(C)cc(C)n23)cc1
InChIInChI=1S/C19H24N6O2/c1-5-27-16-8-6-15(7-9-16)14(4)22-19(26)20-11-17-23-24-18-21-12(2)10-13(3)25(17)18/h6-10,14H,5,11H2,1-4H3,(H2,20,22,26)/t14-/m0/s1
InChIKeyKWPJRGYQZSQAAT-AWEZNQCLSA-N
XLogP2.70
TPSA93.44 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 52.70
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-2-(4-ethoxyphenoxy)acetamide
CID 110493271
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-4-ethoxybenzenesulfonamide
CID 110504197
N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-ethoxybenzamide
CID 110493327
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108890683
1-[(4-ethoxyphenoxy)methyl]-3-[1-(4-ethylphenyl)ethyl]urea
CID 108890686
(E)-N-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-(4-ethoxy-3-methoxyphenyl)prop-2-enamide
CID 110493292
1-[1-(4-ethoxyphenyl)ethyl]-3-[(2-fluorophenyl)methyl]urea
CID 16579741
N-[1-(4-ethoxyphenyl)ethyl]-3,6-dimethyl-[1,2]oxazolo[5,4-b]pyridine-4-carboxamide
CID 42930094
1-(4-ethoxyphenyl)-3-[(1S)-1-pyridin-4-ylethyl]urea
CID 40637158
1-[1-(4-ethoxyphenyl)ethyl]-3-(1-hydroxybutan-2-yl)urea
CID 110892427
1-[2-(4-chlorophenyl)ethyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea
CID 41105338
1-(methoxymethyl)-3-[1-(4-methoxyphenyl)ethyl]urea
CID 108893562

Frequently Asked Questions

What is the IUPAC name of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
The IUPAC name of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea (CID 40818946) is 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea.
What is the SMILES notation for 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
The canonical SMILES for 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea is CCOc1ccc([C@H](C)NC(=O)NCc2nnc3nc(C)cc(C)n23)cc1.
What is the InChIKey of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
The InChIKey is KWPJRGYQZSQAAT-AWEZNQCLSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-5-27-16-8-6-15(7-9-16)14(4)22-19(26)20-11-17-23-24-18-21-12(2)10-13(3)25(17)18/h6-10,14H,5,11H2,1-4H3,(H2,20,22,26)/t14-/m0/s1.
What are the key properties of 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea?
1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea has a molecular weight of 368.44 g/mol, XLogP of 2.70, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[(5,7-dimethyl-[1,2,4]triazolo[4,3-a]pyrimidin-3-yl)methyl]-3-[(1S)-1-(4-ethoxyphenyl)ethyl]urea is sourced from PubChem (CID 40818946), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).