2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

C16H20N6OS — CID 138057545

IUPAC2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2nc(C3CCOCC3)n[nH]2)c2ccsc2n1
InChIInChI=1S/C16H20N6OS/c1-2-12-18-15(11-5-8-24-16(11)20-12)17-9-13-19-14(22-21-13)10-3-6-23-7-4-10/h5,8,10H,2-4,6-7,9H2,1H3,(H,17,18,20)(H,19,21,22)
InChIKeyQMAGGZBOVGOAIM-UHFFFAOYSA-N
MW344.44 g/mol
LogP2.88
Rot. Bonds5

About 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine

2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (PubChem CID 138057545) has the molecular formula C16H20N6OS and a molecular weight of 344.44 g/mol. Its IUPAC name is 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.

Molecular Properties

Compound Name2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
PubChem CID138057545
Molecular FormulaC16H20N6OS
Molecular Weight344.44 g/mol
Exact Mass344.14
IUPAC Name2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
SMILESCCc1nc(NCc2nc(C3CCOCC3)n[nH]2)c2ccsc2n1
InChIInChI=1S/C16H20N6OS/c1-2-12-18-15(11-5-8-24-16(11)20-12)17-9-13-19-14(22-21-13)10-3-6-23-7-4-10/h5,8,10H,2-4,6-7,9H2,1H3,(H,17,18,20)(H,19,21,22)
InChIKeyQMAGGZBOVGOAIM-UHFFFAOYSA-N
XLogP2.88
TPSA88.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms24
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500344.44
LogP ≤ 52.88
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Analyze 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine with MolForge

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Related Compounds

2-cyclopropyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 62188847
2-ethyl-N-[(4-methylsulfinylphenyl)methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133404042
2-ethyl-N-[[2-(trifluoromethyl)pyrimidin-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 138046013
2-(oxolan-3-ylmethyl)-N-propylthieno[2,3-d]pyrimidin-4-amine
CID 103987757
2-ethyl-N-(2-phenyloxolan-3-yl)thieno[2,3-d]pyrimidin-4-amine
CID 133403799
2-ethyl-N-(2-methyl-2-methylsulfanylpropyl)thieno[2,3-d]pyrimidin-4-amine
CID 133403664
N-[(3,5-diethyl-1,2-oxazol-4-yl)methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133404165
2-ethyl-N-[[4-(methylsulfonylmethyl)oxan-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133405891
2-ethyl-N-[[2-(methylamino)-1,3-thiazol-4-yl]methyl]thieno[2,3-d]pyrimidin-4-amine
CID 133403456
N-[[2-(dimethylamino)-1,3-thiazol-4-yl]methyl]-2-ethylthieno[2,3-d]pyrimidin-4-amine
CID 133403780
8-methyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]quinolin-2-amine
CID 167819103
2-cyclooctyl-N-ethylthieno[2,3-d]pyrimidin-4-amine
CID 80611795

Frequently Asked Questions

What is the IUPAC name of 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The IUPAC name of 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine (CID 138057545) is 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine.
What is the SMILES notation for 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The canonical SMILES for 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is CCc1nc(NCc2nc(C3CCOCC3)n[nH]2)c2ccsc2n1.
What is the InChIKey of 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
The InChIKey is QMAGGZBOVGOAIM-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H20N6OS/c1-2-12-18-15(11-5-8-24-16(11)20-12)17-9-13-19-14(22-21-13)10-3-6-23-7-4-10/h5,8,10H,2-4,6-7,9H2,1H3,(H,17,18,20)(H,19,21,22).
What are the key properties of 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine?
2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine has a molecular weight of 344.44 g/mol, XLogP of 2.88, 5 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-ethyl-N-[[3-(oxan-4-yl)-1H-1,2,4-triazol-5-yl]methyl]thieno[2,3-d]pyrimidin-4-amine is sourced from PubChem (CID 138057545), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).