(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

C20H27N5OS — CID 136762411

IUPAC(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2n(n1)[C@H](CC(C)C)C(C(=O)Nc1ccccc1C)=C(C)N2
InChIInChI=1S/C20H27N5OS/c1-6-27-20-23-19-21-14(5)17(16(11-12(2)3)25(19)24-20)18(26)22-15-10-8-7-9-13(15)4/h7-10,12,16H,6,11H2,1-5H3,(H,22,26)(H,21,23,24)/t16-/m1/s1
InChIKeyQUJSEVYRTZRFNX-MRXNPFEDSA-N
MW385.54 g/mol
LogP4.62
Rot. Bonds6

About (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide

(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (PubChem CID 136762411) has the molecular formula C20H27N5OS and a molecular weight of 385.54 g/mol. Its IUPAC name is (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.

Molecular Properties

Compound Name(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
PubChem CID136762411
Molecular FormulaC20H27N5OS
Molecular Weight385.54 g/mol
Exact Mass385.19
IUPAC Name(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
SMILESCCSc1nc2n(n1)[C@H](CC(C)C)C(C(=O)Nc1ccccc1C)=C(C)N2
InChIInChI=1S/C20H27N5OS/c1-6-27-20-23-19-21-14(5)17(16(11-12(2)3)25(19)24-20)18(26)22-15-10-8-7-9-13(15)4/h7-10,12,16H,6,11H2,1-5H3,(H,22,26)(H,21,23,24)/t16-/m1/s1
InChIKeyQUJSEVYRTZRFNX-MRXNPFEDSA-N
XLogP4.62
TPSA71.84 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms27
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500385.54
LogP ≤ 54.62
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide with MolForge

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Related Compounds

(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(4-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135877532
(7R)-7-(4-chlorophenyl)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135877536
(7R)-7-(2-ethoxyphenyl)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135877508
2-ethylsulfanyl-7-(4-hydroxy-3,5-dimethoxyphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135922267
N-(2,3-dimethylphenyl)-2-ethylsulfanyl-7-[3-methoxy-4-(3-methylbutoxy)phenyl]-5-methyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135660901
(7S)-N-(2-methoxyphenyl)-5-methyl-2-[(2-methylphenyl)methylsulfanyl]-7-propan-2-yl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 136761828
N-(2-ethoxyphenyl)-2-ethylsulfanyl-5-methyl-7-[(E)-2-phenylethenyl]-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135660384
5-methyl-N-(2-methylphenyl)-7-(4-nitrophenyl)-2-propylsulfanyl-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135584394
2-[(2-fluorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-(4-propan-2-yloxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135792599
7-(4-chlorophenyl)-2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135610685
2-[(2-chlorophenyl)methylsulfanyl]-5-methyl-N-(2-methylphenyl)-7-(4-propan-2-yloxyphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135790729
2-[(2-chlorophenyl)methylsulfanyl]-7-(4-ethylphenyl)-5-methyl-N-(2-methylphenyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide
CID 135663266

Frequently Asked Questions

What is the IUPAC name of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The IUPAC name of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide (CID 136762411) is (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide.
What is the SMILES notation for (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The canonical SMILES for (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is CCSc1nc2n(n1)[C@H](CC(C)C)C(C(=O)Nc1ccccc1C)=C(C)N2.
What is the InChIKey of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
The InChIKey is QUJSEVYRTZRFNX-MRXNPFEDSA-N. The full InChI is InChI=1S/C20H27N5OS/c1-6-27-20-23-19-21-14(5)17(16(11-12(2)3)25(19)24-20)18(26)22-15-10-8-7-9-13(15)4/h7-10,12,16H,6,11H2,1-5H3,(H,22,26)(H,21,23,24)/t16-/m1/s1.
What are the key properties of (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide?
(7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide has a molecular weight of 385.54 g/mol, XLogP of 4.62, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (7R)-2-ethylsulfanyl-5-methyl-N-(2-methylphenyl)-7-(2-methylpropyl)-4,7-dihydro-[1,2,4]triazolo[1,5-a]pyrimidine-6-carboxamide is sourced from PubChem (CID 136762411), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).