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4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide

C19H24N4O2S — CID 119060180

Data last refreshed: (MolForge compound catalog, from PubChem)

IUPAC4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(-c2cc(N)nc(SC)n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-3-23(12-15-5-4-10-25-15)18(24)14-8-6-13(7-9-14)16-11-17(20)22-19(21-16)26-2/h6-9,11,15H,3-5,10,12H2,1-2H3,(H2,20,21,22)
InChIKeyCRHMTDREKOGQBY-UHFFFAOYSA-N
MW372.49 g/mol
LogP3.09
Rot. Bonds6

About 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide

4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide (PubChem CID 119060180) has the molecular formula C19H24N4O2S and a molecular weight of 372.49 g/mol. Its IUPAC name is 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide.

Molecular Properties

Compound Name4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
PubChem CID119060180
Molecular FormulaC19H24N4O2S
Molecular Weight372.49 g/mol
Exact Mass372.16
IUPAC Name4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide
SMILESCCN(CC1CCCO1)C(=O)c1ccc(-c2cc(N)nc(SC)n2)cc1
InChIInChI=1S/C19H24N4O2S/c1-3-23(12-15-5-4-10-25-15)18(24)14-8-6-13(7-9-14)16-11-17(20)22-19(21-16)26-2/h6-9,11,15H,3-5,10,12H2,1-2H3,(H2,20,21,22)
InChIKeyCRHMTDREKOGQBY-UHFFFAOYSA-N
XLogP3.09
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500372.49
LogP ≤ 53.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The IUPAC name of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide (CID 119060180) is 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide.
What is the SMILES notation for 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The canonical SMILES for 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide is CCN(CC1CCCO1)C(=O)c1ccc(-c2cc(N)nc(SC)n2)cc1.
What is the InChIKey of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
The InChIKey is CRHMTDREKOGQBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C19H24N4O2S/c1-3-23(12-15-5-4-10-25-15)18(24)14-8-6-13(7-9-14)16-11-17(20)22-19(21-16)26-2/h6-9,11,15H,3-5,10,12H2,1-2H3,(H2,20,21,22).
What are the key properties of 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide?
4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide has a molecular weight of 372.49 g/mol, XLogP of 3.09, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 4-(6-amino-2-methylsulfanylpyrimidin-4-yl)-N-ethyl-N-(oxolan-2-ylmethyl)benzamide is sourced from PubChem (CID 119060180), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).

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