2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

C11H14N4OS2 — CID 113401725

IUPAC2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCOCc1nc(NC)cc(Sc2nccs2)n1
InChIInChI=1S/C11H14N4OS2/c1-3-16-7-9-14-8(12-2)6-10(15-9)18-11-13-4-5-17-11/h4-6H,3,7H2,1-2H3,(H,12,14,15)
InChIKeyRXZAVHMTDZYYPS-UHFFFAOYSA-N
MW282.39 g/mol
LogP2.66
Rot. Bonds6

About 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine

2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (PubChem CID 113401725) has the molecular formula C11H14N4OS2 and a molecular weight of 282.39 g/mol. Its IUPAC name is 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.

Molecular Properties

Compound Name2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
PubChem CID113401725
Molecular FormulaC11H14N4OS2
Molecular Weight282.39 g/mol
Exact Mass282.06
IUPAC Name2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine
SMILESCCOCc1nc(NC)cc(Sc2nccs2)n1
InChIInChI=1S/C11H14N4OS2/c1-3-16-7-9-14-8(12-2)6-10(15-9)18-11-13-4-5-17-11/h4-6H,3,7H2,1-2H3,(H,12,14,15)
InChIKeyRXZAVHMTDZYYPS-UHFFFAOYSA-N
XLogP2.66
TPSA59.93 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500282.39
LogP ≤ 52.66
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'thiazol_SC_A(3)', 'substructure': 'N/A'}

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Related Compounds

6-[[5-(methoxymethyl)-1,3,4-thiadiazol-2-yl]sulfanyl]-N-propan-2-ylpyrimidin-4-amine
CID 172437981
5-Fluoro-2-(1,3-thiazol-2-ylmethoxy)pyrimidin-4-amine
CID 57818892
6-N-ethyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771926
6-N-methyl-4-N-[2-(1,3-thiazol-2-yl)ethyl]-2-(trifluoromethyl)pyrimidine-4,6-diamine
CID 106771927
6-(1,3-Thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775074
N-propyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775076
N-ethyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 106775077
N-methyl-6-(1,3-thiazol-2-ylsulfanyl)-2-(trifluoromethyl)pyrimidin-4-amine
CID 113875830
2-((6-morpholinopyrimidin-4-yl)thio)-N-(thiazol-2-yl)acetamide
CID 45503152
2-[[2-Methyl-6-(oxolan-3-ylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 10017801
2-[[2-Methyl-6-(2-morpholin-4-ylethylamino)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 10020446
2-[[2-Methyl-6-(2-morpholin-4-ylethylsulfanyl)pyrimidin-4-yl]amino]-1,3-thiazole-5-carbonitrile
CID 10044208

Frequently Asked Questions

What is the IUPAC name of 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The IUPAC name of 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine (CID 113401725) is 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine.
What is the SMILES notation for 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The canonical SMILES for 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is CCOCc1nc(NC)cc(Sc2nccs2)n1.
What is the InChIKey of 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
The InChIKey is RXZAVHMTDZYYPS-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H14N4OS2/c1-3-16-7-9-14-8(12-2)6-10(15-9)18-11-13-4-5-17-11/h4-6H,3,7H2,1-2H3,(H,12,14,15).
What are the key properties of 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine?
2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine has a molecular weight of 282.39 g/mol, XLogP of 2.66, 6 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethoxymethyl)-N-methyl-6-(1,3-thiazol-2-ylsulfanyl)pyrimidin-4-amine is sourced from PubChem (CID 113401725), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).