ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate

C10H13N5O4S — CID 78906339

IUPACethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(SCC(=O)NC(N)=O)nc1N
InChIInChI=1S/C10H13N5O4S/c1-2-19-8(17)5-3-13-10(15-7(5)11)20-4-6(16)14-9(12)18/h3H,2,4H2,1H3,(H2,11,13,15)(H3,12,14,16,18)
InChIKeyCZICCBBGXURETD-UHFFFAOYSA-N
MW299.31 g/mol
LogP-0.48
Rot. Bonds5

About ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate

ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate (PubChem CID 78906339) has the molecular formula C10H13N5O4S and a molecular weight of 299.31 g/mol. Its IUPAC name is ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
PubChem CID78906339
Molecular FormulaC10H13N5O4S
Molecular Weight299.31 g/mol
Exact Mass299.07
IUPAC Nameethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(SCC(=O)NC(N)=O)nc1N
InChIInChI=1S/C10H13N5O4S/c1-2-19-8(17)5-3-13-10(15-7(5)11)20-4-6(16)14-9(12)18/h3H,2,4H2,1H3,(H2,11,13,15)(H3,12,14,16,18)
InChIKeyCZICCBBGXURETD-UHFFFAOYSA-N
XLogP-0.48
TPSA150.29 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds5
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500299.31
LogP ≤ 5-0.48
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

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Related Compounds

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ethyl 4-amino-2-[2-(4-ethoxyanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
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ethyl 4-amino-2-[2-(4-methoxycarbonylanilino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
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ethyl 4-amino-2-(2-oxo-2-piperidin-1-ylethyl)sulfanylpyrimidine-5-carboxylate
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ethyl 4-amino-2-[2-[di(propan-2-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
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ethyl 4-amino-2-[2-[(3-methyl-1,2-oxazol-5-yl)amino]-2-oxoethyl]sulfanylpyrimidine-5-carboxylate
CID 16601512
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Frequently Asked Questions

What is the IUPAC name of ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate (CID 78906339) is ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(SCC(=O)NC(N)=O)nc1N.
What is the InChIKey of ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate?
The InChIKey is CZICCBBGXURETD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H13N5O4S/c1-2-19-8(17)5-3-13-10(15-7(5)11)20-4-6(16)14-9(12)18/h3H,2,4H2,1H3,(H2,11,13,15)(H3,12,14,16,18).
What are the key properties of ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate?
ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate has a molecular weight of 299.31 g/mol, XLogP of -0.48, 5 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-amino-2-[2-(carbamoylamino)-2-oxoethyl]sulfanylpyrimidine-5-carboxylate is sourced from PubChem (CID 78906339), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).