6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine

C17H19N5OS — CID 126722657

IUPAC6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H19N5OS/c1-3-13-14(15(18)22-17(19)21-13)23-8-12-9-24-16(20-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H4,18,19,21,22)
InChIKeyUCFAFZBOQUJGNA-UHFFFAOYSA-N
MW341.44 g/mol
LogP3.21
Rot. Bonds5

About 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine

6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine (PubChem CID 126722657) has the molecular formula C17H19N5OS and a molecular weight of 341.44 g/mol. Its IUPAC name is 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine.

Molecular Properties

Compound Name6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine
PubChem CID126722657
Molecular FormulaC17H19N5OS
Molecular Weight341.44 g/mol
Exact Mass341.13
IUPAC Name6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine
SMILESCCc1nc(N)nc(N)c1OCc1csc(-c2ccc(C)cc2)n1
InChIInChI=1S/C17H19N5OS/c1-3-13-14(15(18)22-17(19)21-13)23-8-12-9-24-16(20-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H4,18,19,21,22)
InChIKeyUCFAFZBOQUJGNA-UHFFFAOYSA-N
XLogP3.21
TPSA99.94 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500341.44
LogP ≤ 53.21
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

6-ethyl-5-[[2-(3-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine
CID 145280989
2-[3-[4-[(2,4-diamino-6-ethylpyrimidin-5-yl)oxymethyl]-1,3-thiazol-2-yl]phenoxy]acetic acid
CID 126722684
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 4-ethylthiadiazole-5-carboxylate
CID 8535499
2-(4-methylphenyl)-4-propyl-1,3-thiazole
CID 115641441
4-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]benzaldehyde
CID 32758569
2-[2-(4-methylphenyl)-1,3-thiazol-4-yl]ethanamine
CID 3799257
6-ethyl-5-[[3-(4-nitrophenyl)-1,2-oxazol-5-yl]methoxy]pyrimidine-2,4-diamine
CID 126722711
2-methyl-1-[2-(4-methylphenyl)-1,3-thiazol-4-yl]propan-2-amine
CID 116888227
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3-(4-methylphenyl)thiophene-2-carboxylate
CID 7735564
[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl 3,5-dimethylbenzoate
CID 7749255
6-ethyl-5-[3-(4-phenylphenoxy)propoxy]pyrimidine-2,4-diamine
CID 177378760
N-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methyl]ethanamine
CID 60641301

Frequently Asked Questions

What is the IUPAC name of 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine?
The IUPAC name of 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine (CID 126722657) is 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine.
What is the SMILES notation for 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine?
The canonical SMILES for 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine is CCc1nc(N)nc(N)c1OCc1csc(-c2ccc(C)cc2)n1.
What is the InChIKey of 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine?
The InChIKey is UCFAFZBOQUJGNA-UHFFFAOYSA-N. The full InChI is InChI=1S/C17H19N5OS/c1-3-13-14(15(18)22-17(19)21-13)23-8-12-9-24-16(20-12)11-6-4-10(2)5-7-11/h4-7,9H,3,8H2,1-2H3,(H4,18,19,21,22).
What are the key properties of 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine?
6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine has a molecular weight of 341.44 g/mol, XLogP of 3.21, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-ethyl-5-[[2-(4-methylphenyl)-1,3-thiazol-4-yl]methoxy]pyrimidine-2,4-diamine is sourced from PubChem (CID 126722657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).