2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide

C18H21ClN6O2 — CID 18119786

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN6O2/c1-11-15(12(2)25-18(21-11)22-17(20)23-25)10-16(26)24(3)7-8-27-14-6-4-5-13(19)9-14/h4-6,9H,7-8,10H2,1-3H3,(H2,20,23)
InChIKeyRBXMPBWAQAPBBN-UHFFFAOYSA-N
MW388.86 g/mol
LogP2.06
Rot. Bonds6

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide (PubChem CID 18119786) has the molecular formula C18H21ClN6O2 and a molecular weight of 388.86 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide
PubChem CID18119786
Molecular FormulaC18H21ClN6O2
Molecular Weight388.86 g/mol
Exact Mass388.14
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide
SMILESCc1nc2nc(N)nn2c(C)c1CC(=O)N(C)CCOc1cccc(Cl)c1
InChIInChI=1S/C18H21ClN6O2/c1-11-15(12(2)25-18(21-11)22-17(20)23-25)10-16(26)24(3)7-8-27-14-6-4-5-13(19)9-14/h4-6,9H,7-8,10H2,1-3H3,(H2,20,23)
InChIKeyRBXMPBWAQAPBBN-UHFFFAOYSA-N
XLogP2.06
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500388.86
LogP ≤ 52.06
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 18112560
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 24544318
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[1-(3-chlorophenyl)ethyl]acetamide
CID 24544012
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
CID 18118589
2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methyl-N-[2-(2-methylphenoxy)ethyl]acetamide
CID 26979839
N-[2-(3-chlorophenoxy)ethyl]-2-(4,6-dimethylpyrimidin-2-yl)sulfanyl-N-methylacetamide
CID 55439817
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2,4-difluorophenyl)methyl]-N-methylacetamide
CID 55549100
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[4-(4-methylphenoxy)butyl]acetamide
CID 55869468
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(4-methoxyphenoxy)ethyl]acetamide
CID 24551138
5-[2-(3-chlorophenoxy)ethyl-methylamino]-5-oxopentanoic acid
CID 60954113
2,6-dichloro-N-[2-(3-chlorophenoxy)ethyl]-N-methylpyridine-4-carboxamide
CID 78819673
N-[2-(3-chlorophenoxy)ethyl]-N-methyl-3-(5-methyltetrazol-1-yl)propanamide
CID 131936026

Frequently Asked Questions

What is the IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide?
The IUPAC name of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide (CID 18119786) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide.
What is the SMILES notation for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide is Cc1nc2nc(N)nn2c(C)c1CC(=O)N(C)CCOc1cccc(Cl)c1.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide?
The InChIKey is RBXMPBWAQAPBBN-UHFFFAOYSA-N. The full InChI is InChI=1S/C18H21ClN6O2/c1-11-15(12(2)25-18(21-11)22-17(20)23-25)10-16(26)24(3)7-8-27-14-6-4-5-13(19)9-14/h4-6,9H,7-8,10H2,1-3H3,(H2,20,23).
What are the key properties of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide has a molecular weight of 388.86 g/mol, XLogP of 2.06, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[2-(3-chlorophenoxy)ethyl]-N-methylacetamide is sourced from PubChem (CID 18119786), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).