2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide

C11H18N4OS — CID 63697844

IUPAC2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide
SMILESCCNC(C)(CCSc1ccncn1)C(N)=O
InChIInChI=1S/C11H18N4OS/c1-3-15-11(2,10(12)16)5-7-17-9-4-6-13-8-14-9/h4,6,8,15H,3,5,7H2,1-2H3,(H2,12,16)
InChIKeyHXGQSYBKEWTJIE-UHFFFAOYSA-N
MW254.36 g/mol
LogP0.81
Rot. Bonds7

About 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide

2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide (PubChem CID 63697844) has the molecular formula C11H18N4OS and a molecular weight of 254.36 g/mol. Its IUPAC name is 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide.

Molecular Properties

Compound Name2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide
PubChem CID63697844
Molecular FormulaC11H18N4OS
Molecular Weight254.36 g/mol
Exact Mass254.12
IUPAC Name2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide
SMILESCCNC(C)(CCSc1ccncn1)C(N)=O
InChIInChI=1S/C11H18N4OS/c1-3-15-11(2,10(12)16)5-7-17-9-4-6-13-8-14-9/h4,6,8,15H,3,5,7H2,1-2H3,(H2,12,16)
InChIKeyHXGQSYBKEWTJIE-UHFFFAOYSA-N
XLogP0.81
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500254.36
LogP ≤ 50.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide?
The IUPAC name of 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide (CID 63697844) is 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide.
What is the SMILES notation for 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide?
The canonical SMILES for 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide is CCNC(C)(CCSc1ccncn1)C(N)=O.
What is the InChIKey of 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide?
The InChIKey is HXGQSYBKEWTJIE-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4OS/c1-3-15-11(2,10(12)16)5-7-17-9-4-6-13-8-14-9/h4,6,8,15H,3,5,7H2,1-2H3,(H2,12,16).
What are the key properties of 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide?
2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide has a molecular weight of 254.36 g/mol, XLogP of 0.81, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-(ethylamino)-2-methyl-4-pyrimidin-4-ylsulfanylbutanamide is sourced from PubChem (CID 63697844), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).