3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide

C12H20N4OS — CID 55057563

IUPAC3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(CSc1nc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-5-14-12(4,10(13)17)7-18-11-15-8(2)6-9(3)16-11/h6,14H,5,7H2,1-4H3,(H2,13,17)
InChIKeyHYGNCXNGDKGKIV-UHFFFAOYSA-N
MW268.39 g/mol
LogP1.04
Rot. Bonds6

About 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide

3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide (PubChem CID 55057563) has the molecular formula C12H20N4OS and a molecular weight of 268.39 g/mol. Its IUPAC name is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide.

Molecular Properties

Compound Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
PubChem CID55057563
Molecular FormulaC12H20N4OS
Molecular Weight268.39 g/mol
Exact Mass268.14
IUPAC Name3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide
SMILESCCNC(C)(CSc1nc(C)cc(C)n1)C(N)=O
InChIInChI=1S/C12H20N4OS/c1-5-14-12(4,10(13)17)7-18-11-15-8(2)6-9(3)16-11/h6,14H,5,7H2,1-4H3,(H2,13,17)
InChIKeyHYGNCXNGDKGKIV-UHFFFAOYSA-N
XLogP1.04
TPSA80.90 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.39
LogP ≤ 51.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

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CID 653464
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CID 2976289
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CID 695459
CID 695459
CID 975959
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CID 2772852
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CID 2979066
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CID 2496710
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CID 752301
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CID 2976325
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CID 24982447
CID 24982447

Frequently Asked Questions

What is the IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
The IUPAC name of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide (CID 55057563) is 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide.
What is the SMILES notation for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
The canonical SMILES for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide is CCNC(C)(CSc1nc(C)cc(C)n1)C(N)=O.
What is the InChIKey of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
The InChIKey is HYGNCXNGDKGKIV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H20N4OS/c1-5-14-12(4,10(13)17)7-18-11-15-8(2)6-9(3)16-11/h6,14H,5,7H2,1-4H3,(H2,13,17).
What are the key properties of 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide?
3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide has a molecular weight of 268.39 g/mol, XLogP of 1.04, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2-(ethylamino)-2-methylpropanamide is sourced from PubChem (CID 55057563), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).