N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

C21H23N5O2S — CID 145045197

IUPACN-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(-c2nsc(Oc3cc(C)c(NC4=NCCCN4)cc3C)n2)cc1
InChIInChI=1S/C21H23N5O2S/c1-13-12-18(14(2)11-17(13)24-20-22-9-4-10-23-20)28-21-25-19(26-29-21)15-5-7-16(27-3)8-6-15/h5-8,11-12H,4,9-10H2,1-3H3,(H2,22,23,24)
InChIKeyGLLTYAJTPTTYBX-UHFFFAOYSA-N
MW409.52 g/mol
LogP4.38
Rot. Bonds5

About N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine

N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (PubChem CID 145045197) has the molecular formula C21H23N5O2S and a molecular weight of 409.52 g/mol. Its IUPAC name is N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.

Molecular Properties

Compound NameN-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
PubChem CID145045197
Molecular FormulaC21H23N5O2S
Molecular Weight409.52 g/mol
Exact Mass409.16
IUPAC NameN-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
SMILESCOc1ccc(-c2nsc(Oc3cc(C)c(NC4=NCCCN4)cc3C)n2)cc1
InChIInChI=1S/C21H23N5O2S/c1-13-12-18(14(2)11-17(13)24-20-22-9-4-10-23-20)28-21-25-19(26-29-21)15-5-7-16(27-3)8-6-15/h5-8,11-12H,4,9-10H2,1-3H3,(H2,22,23,24)
InChIKeyGLLTYAJTPTTYBX-UHFFFAOYSA-N
XLogP4.38
TPSA80.66 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms29
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500409.52
LogP ≤ 54.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

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Related Compounds

N-[4-[[3-(1-benzofuran-5-yl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045126
4-methyl-6-[(3-phenyl-1,2,4-thiadiazol-5-yl)oxy]-3-N-(1,4,5,6-tetrahydropyrimidin-2-yl)benzene-1,3-diamine
CID 145045190
N-[4-[[4-(4-chlorophenyl)-1,3-thiazol-2-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045106
N-[4-[1-[3,4-bis(ethenyl)phenyl]ethoxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045032
N'-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenoxy]methylsulfanyl]-3-methyl-N-methylidenebenzenecarboximidamide
CID 145045171
N-[[3-(4-methoxyphenyl)-1H-1,2,4-triazol-5-yl]methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 110936875
N-[2-[2,5-dimethyl-4-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]ethyl]-N-ethylpropan-1-amine
CID 71290651
N-ethyl-2-[5-methoxy-2-methyl-4-[[3-(4-methylphenyl)-1,2,4-thiadiazol-5-yl]oxy]phenyl]-N-methylethanamine
CID 71290607
N'-[[2,5-dimethyl-4-(1,4,5,6-tetrahydropyrimidin-2-ylamino)phenoxy]methylsulfanyl]-5-(1-methylcyclopropyl)-N-methylidenepyrazine-2-carboximidamide
CID 145045176
N-(2-fluoro-5-methoxyphenyl)-4,5-dihydro-1H-imidazol-2-amine
CID 114400318
N-[(2,5-dimethoxyphenyl)methyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 119112673
N-[5-bromo-2-methyl-4-[[4-(4-methylphenyl)-1,3-thiazol-2-yl]methyl]phenyl]-1,4,5,6-tetrahydropyrimidin-2-amine
CID 145045163

Frequently Asked Questions

What is the IUPAC name of N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The IUPAC name of N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine (CID 145045197) is N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine.
What is the SMILES notation for N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The canonical SMILES for N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is COc1ccc(-c2nsc(Oc3cc(C)c(NC4=NCCCN4)cc3C)n2)cc1.
What is the InChIKey of N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
The InChIKey is GLLTYAJTPTTYBX-UHFFFAOYSA-N. The full InChI is InChI=1S/C21H23N5O2S/c1-13-12-18(14(2)11-17(13)24-20-22-9-4-10-23-20)28-21-25-19(26-29-21)15-5-7-16(27-3)8-6-15/h5-8,11-12H,4,9-10H2,1-3H3,(H2,22,23,24).
What are the key properties of N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine?
N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine has a molecular weight of 409.52 g/mol, XLogP of 4.38, 5 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-[4-[[3-(4-methoxyphenyl)-1,2,4-thiadiazol-5-yl]oxy]-2,5-dimethylphenyl]-1,4,5,6-tetrahydropyrimidin-2-amine is sourced from PubChem (CID 145045197), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).