N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide

C11H18N4O2S — CID 114235128

IUPACN-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1ncnc(NCC)c1OC
InChIInChI=1S/C11H18N4O2S/c1-4-12-8(16)6-18-11-9(17-3)10(13-5-2)14-7-15-11/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeySNWOZFQCLBEQIR-UHFFFAOYSA-N
MW270.36 g/mol
LogP1.15
Rot. Bonds7

About N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide

N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide (PubChem CID 114235128) has the molecular formula C11H18N4O2S and a molecular weight of 270.36 g/mol. Its IUPAC name is N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide.

Molecular Properties

Compound NameN-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide
PubChem CID114235128
Molecular FormulaC11H18N4O2S
Molecular Weight270.36 g/mol
Exact Mass270.12
IUPAC NameN-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide
SMILESCCNC(=O)CSc1ncnc(NCC)c1OC
InChIInChI=1S/C11H18N4O2S/c1-4-12-8(16)6-18-11-9(17-3)10(13-5-2)14-7-15-11/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14,15)
InChIKeySNWOZFQCLBEQIR-UHFFFAOYSA-N
XLogP1.15
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500270.36
LogP ≤ 51.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

N-ethyl-2-(1-methylpyrazolo[5,4-d]pyrimidin-4-yl)sulfanylacetamide
CID 42104675
N-ethyl-2-[[6-(ethylamino)-5-methylpyrimidin-4-yl]amino]acetamide
CID 80787425
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,2-dimethylpropanamide
CID 106280657
ethyl 2-[6-(ethylamino)-5-propylpyrimidin-4-yl]sulfanylacetate
CID 80885711
N-ethyl-2-pyrimidin-2-ylsulfanylacetamide
CID 39082382
2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2-(hydroxymethyl)propane-1,3-diol
CID 107855567
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-2,3-dimethylbutan-2-ol
CID 106198550
N-butyl-2-quinazolin-4-ylsulfanylacetamide
CID 2696151
3-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-1,1-difluoropropan-2-ol
CID 114094101
N-ethyl-2-[(6-methoxypyrimidin-4-yl)amino]acetamide
CID 66327427
N-ethyl-2-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]ethanesulfonamide
CID 106343448
1-[[6-(ethylamino)-5-methoxypyrimidin-4-yl]amino]-4-methylpentan-2-ol
CID 107159733

Frequently Asked Questions

What is the IUPAC name of N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide?
The IUPAC name of N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide (CID 114235128) is N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide.
What is the SMILES notation for N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide?
The canonical SMILES for N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide is CCNC(=O)CSc1ncnc(NCC)c1OC.
What is the InChIKey of N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide?
The InChIKey is SNWOZFQCLBEQIR-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2S/c1-4-12-8(16)6-18-11-9(17-3)10(13-5-2)14-7-15-11/h7H,4-6H2,1-3H3,(H,12,16)(H,13,14,15).
What are the key properties of N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide?
N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide has a molecular weight of 270.36 g/mol, XLogP of 1.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for N-ethyl-2-[6-(ethylamino)-5-methoxypyrimidin-4-yl]sulfanylacetamide is sourced from PubChem (CID 114235128), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).