6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine

C13H18N4OS — CID 80965282

IUPAC6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ncsc1CCOc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)13-16-11(14)6-12(17-13)18-5-4-10-9(3)15-7-19-10/h6-8H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyDFKMVBJSTBNOSO-UHFFFAOYSA-N
MW278.38 g/mol
LogP2.57
Rot. Bonds5

About 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine

6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine (PubChem CID 80965282) has the molecular formula C13H18N4OS and a molecular weight of 278.38 g/mol. Its IUPAC name is 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine.

Molecular Properties

Compound Name6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
PubChem CID80965282
Molecular FormulaC13H18N4OS
Molecular Weight278.38 g/mol
Exact Mass278.12
IUPAC Name6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
SMILESCc1ncsc1CCOc1cc(N)nc(C(C)C)n1
InChIInChI=1S/C13H18N4OS/c1-8(2)13-16-11(14)6-12(17-13)18-5-4-10-9(3)15-7-19-10/h6-8H,4-5H2,1-3H3,(H2,14,16,17)
InChIKeyDFKMVBJSTBNOSO-UHFFFAOYSA-N
XLogP2.57
TPSA73.92 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500278.38
LogP ≤ 52.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80955893
4-N-[(4-methyl-1,3-thiazol-5-yl)methyl]-2-propan-2-ylpyrimidine-4,6-diamine
CID 80957195
6-(3-methoxypropoxy)-2-propan-2-ylpyrimidin-4-amine
CID 80965218
N,5-dimethyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine
CID 80989512
2-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridine-4-carbothioamide
CID 114768080
O-[2-(4-methyl-1,3-thiazol-5-yl)ethyl]hydroxylamine
CID 11228942
2-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-1,3-thiazol-5-amine
CID 102769344
5-methyl-6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]pyridin-3-amine
CID 62475742
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propoxypyridin-3-amine
CID 43262332
1-[3,5-dimethyl-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]propan-2-amine
CID 62071710
3-amino-4-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]benzonitrile
CID 43518282
1-[3-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]phenyl]ethanamine
CID 62072174

Frequently Asked Questions

What is the IUPAC name of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
The IUPAC name of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine (CID 80965282) is 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine.
What is the SMILES notation for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
The canonical SMILES for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine is Cc1ncsc1CCOc1cc(N)nc(C(C)C)n1.
What is the InChIKey of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
The InChIKey is DFKMVBJSTBNOSO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H18N4OS/c1-8(2)13-16-11(14)6-12(17-13)18-5-4-10-9(3)15-7-19-10/h6-8H,4-5H2,1-3H3,(H2,14,16,17).
What are the key properties of 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine?
6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine has a molecular weight of 278.38 g/mol, XLogP of 2.57, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[2-(4-methyl-1,3-thiazol-5-yl)ethoxy]-2-propan-2-ylpyrimidin-4-amine is sourced from PubChem (CID 80965282), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).