ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

C12H16N4O3 — CID 46340204

IUPACethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(NC(C)C)c12
InChIInChI=1S/C12H16N4O3/c1-5-18-12(17)9-8-10(13-6(2)3)14-7(4)15-11(8)19-16-9/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyFIXLTCZFWUGCJJ-UHFFFAOYSA-N
MW264.28 g/mol
LogP1.92
Rot. Bonds4

About ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate

ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (PubChem CID 46340204) has the molecular formula C12H16N4O3 and a molecular weight of 264.28 g/mol. Its IUPAC name is ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.

Molecular Properties

Compound Nameethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
PubChem CID46340204
Molecular FormulaC12H16N4O3
Molecular Weight264.28 g/mol
Exact Mass264.12
IUPAC Nameethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate
SMILESCCOC(=O)c1noc2nc(C)nc(NC(C)C)c12
InChIInChI=1S/C12H16N4O3/c1-5-18-12(17)9-8-10(13-6(2)3)14-7(4)15-11(8)19-16-9/h6H,5H2,1-4H3,(H,13,14,15)
InChIKeyFIXLTCZFWUGCJJ-UHFFFAOYSA-N
XLogP1.92
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.28
LogP ≤ 51.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Frequently Asked Questions

What is the IUPAC name of ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The IUPAC name of ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate (CID 46340204) is ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate.
What is the SMILES notation for ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The canonical SMILES for ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is CCOC(=O)c1noc2nc(C)nc(NC(C)C)c12.
What is the InChIKey of ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
The InChIKey is FIXLTCZFWUGCJJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N4O3/c1-5-18-12(17)9-8-10(13-6(2)3)14-7(4)15-11(8)19-16-9/h6H,5H2,1-4H3,(H,13,14,15).
What are the key properties of ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate?
ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate has a molecular weight of 264.28 g/mol, XLogP of 1.92, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 6-methyl-4-(propan-2-ylamino)-[1,2]oxazolo[5,4-d]pyrimidine-3-carboxylate is sourced from PubChem (CID 46340204), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).