4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine

C13H18N4OS — CID 80859119

IUPAC4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OCCc2scnc2C)n1
InChIInChI=1S/C13H18N4OS/c1-3-6-14-13-15-7-4-12(17-13)18-8-5-11-10(2)16-9-19-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15,17)
InChIKeyXRVXKPUQLIHGSQ-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.68
Rot. Bonds7

About 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine

4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine (PubChem CID 80859119) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine.

Molecular Properties

Compound Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
PubChem CID80859119
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine
SMILESCCCNc1nccc(OCCc2scnc2C)n1
InChIInChI=1S/C13H18N4OS/c1-3-6-14-13-15-7-4-12(17-13)18-8-5-11-10(2)16-9-19-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15,17)
InChIKeyXRVXKPUQLIHGSQ-UHFFFAOYSA-N
XLogP2.68
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.68
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

2-[2-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80860272
N-[[2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-4-pyridinyl]methyl]propan-1-amine
CID 62291596
N-tert-butyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-2-amine
CID 115498631
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propoxypyridin-3-amine
CID 43262332
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
4-(4-methylphenoxy)-N-propylpyrimidin-2-amine
CID 80862544
4-butoxy-N-ethylpyrimidin-2-amine
CID 80865329
4-[(4-methoxyphenyl)methoxy]-N-propylpyrimidin-2-amine
CID 80866869
N-[(5-ethylthiophen-2-yl)methyl]-4-propoxypyrimidin-2-amine
CID 106013343
1-methoxy-4-[(4-propoxypyrimidin-2-yl)amino]butan-2-ol
CID 106248135
4-pentan-2-yloxy-N-propylpyrimidin-2-amine
CID 102989423
N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80955893

Frequently Asked Questions

What is the IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
The IUPAC name of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine (CID 80859119) is 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine.
What is the SMILES notation for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
The canonical SMILES for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine is CCCNc1nccc(OCCc2scnc2C)n1.
What is the InChIKey of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
The InChIKey is XRVXKPUQLIHGSQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-3-6-14-13-15-7-4-12(17-13)18-8-5-11-10(2)16-9-19-11/h4,7,9H,3,5-6,8H2,1-2H3,(H,14,15,17).
What are the key properties of 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine?
4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine has a molecular weight of 278.38 g/mol, XLogP of 2.68, 7 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-N-propylpyrimidin-2-amine is sourced from PubChem (CID 80859119), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).