2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide

C19H24N6O2 — CID 18118589

IUPAC2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C19H24N6O2/c1-11-6-7-16(27-5)14(8-11)10-24(4)17(26)9-15-12(2)21-19-22-18(20)23-25(19)13(15)3/h6-8H,9-10H2,1-5H3,(H2,20,23)
InChIKeyGCQDFEIALLKRFR-UHFFFAOYSA-N
MW368.44 g/mol
LogP1.84
Rot. Bonds5

About 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide

2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide (PubChem CID 18118589) has the molecular formula C19H24N6O2 and a molecular weight of 368.44 g/mol. Its IUPAC name is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide.

Molecular Properties

Compound Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
PubChem CID18118589
Molecular FormulaC19H24N6O2
Molecular Weight368.44 g/mol
Exact Mass368.20
IUPAC Name2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide
SMILESCOc1ccc(C)cc1CN(C)C(=O)Cc1c(C)nc2nc(N)nn2c1C
InChIInChI=1S/C19H24N6O2/c1-11-6-7-16(27-5)14(8-11)10-24(4)17(26)9-15-12(2)21-19-22-18(20)23-25(19)13(15)3/h6-8H,9-10H2,1-5H3,(H2,20,23)
InChIKeyGCQDFEIALLKRFR-UHFFFAOYSA-N
XLogP1.84
TPSA98.64 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500368.44
LogP ≤ 51.84
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-[(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-[(2-chlorophenyl)methyl]-N-methylacetamide
CID 24544318
N-[(5-bromo-2-methoxyphenyl)methyl]-2-(5,7-dimethyl-2-methylsulfanyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-methylacetamide
CID 24639163
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(3-chlorophenyl)methyl]-N-methylacetamide
CID 18112560
N-[(5-chloro-2-methoxyphenyl)methyl]-3-[5,7-dimethyl-2-(trifluoromethyl)-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl]-N-methylpropanamide
CID 41437636
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
(5-acetyl-2-methoxyphenyl)methyl 3-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)propanoate
CID 7734631
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(1S)-1-(2-methoxyphenyl)ethyl]acetamide
CID 51644301
N-[(2-methoxy-5-methylphenyl)methyl]-N-methyl-2-pyridin-4-ylsulfanylacetamide
CID 51073326
(2-methoxy-5-methylphenyl)methyl-methylcarbamic acid
CID 115170937
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(4-methoxyphenyl)methyl]acetamide
CID 17415546
N-[(5-chloro-2-methoxyphenyl)methyl]-3-(2,4-dimethylpyrimido[1,2-b]indazol-3-yl)-N-methylpropanamide
CID 41447091

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-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The IUPAC name of 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) is 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-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-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The canonical SMILES for 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide is COc1ccc(C)cc1CN(C)C(=O)Cc1c(C)nc2nc(N)nn2c1C.
What is the InChIKey of 2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
The InChIKey is GCQDFEIALLKRFR-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N6O2/c1-11-6-7-16(27-5)14(8-11)10-24(4)17(26)9-15-12(2)21-19-22-18(20)23-25(19)13(15)3/h6-8H,9-10H2,1-5H3,(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-methoxy-5-methylphenyl)methyl]-N-methylacetamide?
2-(2-amino-5,7-dimethyl-[1,2,4]triazolo[1,5-a]pyrimidin-6-yl)-N-[(2-methoxy-5-methylphenyl)methyl]-N-methylacetamide has a molecular weight of 368.44 g/mol, XLogP of 1.84, 5 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-methoxy-5-methylphenyl)methyl]-N-methylacetamide is sourced from PubChem (CID 18118589), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).