ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate

C15H21N7O3 — CID 22540622

IUPACethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(Nc3cc(C)on3)c2N)CC1
InChIInChI=1S/C15H21N7O3/c1-3-24-15(23)22-6-4-21(5-7-22)14-12(16)13(17-9-18-14)19-11-8-10(2)25-20-11/h8-9H,3-7,16H2,1-2H3,(H,17,18,19,20)
InChIKeyWQPWNJYKVNBZRG-UHFFFAOYSA-N
MW347.38 g/mol
LogP1.38
Rot. Bonds4

About ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate

ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate (PubChem CID 22540622) has the molecular formula C15H21N7O3 and a molecular weight of 347.38 g/mol. Its IUPAC name is ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate.

Molecular Properties

Compound Nameethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate
PubChem CID22540622
Molecular FormulaC15H21N7O3
Molecular Weight347.38 g/mol
Exact Mass347.17
IUPAC Nameethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate
SMILESCCOC(=O)N1CCN(c2ncnc(Nc3cc(C)on3)c2N)CC1
InChIInChI=1S/C15H21N7O3/c1-3-24-15(23)22-6-4-21(5-7-22)14-12(16)13(17-9-18-14)19-11-8-10(2)25-20-11/h8-9H,3-7,16H2,1-2H3,(H,17,18,19,20)
InChIKeyWQPWNJYKVNBZRG-UHFFFAOYSA-N
XLogP1.38
TPSA122.64 Ų
H-Bond Donors2
H-Bond Acceptors9
Rotatable Bonds4
Heavy Atoms25
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500347.38
LogP ≤ 51.38
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 109

Analyze ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate with MolForge

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Related Compounds

ethyl 4-[6-[(5-methyl-1,2-oxazol-3-yl)amino]-5-nitropyrimidin-4-yl]piperazine-1-carboxylate
CID 23479079
ethyl 4-[5-amino-6-(pyridin-2-ylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19147050
ethyl 4-[5-amino-6-(4-ethoxyanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19149279
ethyl 4-[5-amino-6-(3-chloro-4-fluoroanilino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19153099
ethyl 4-[5-amino-6-(1,3-benzodioxol-5-ylmethylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 22542674
ethyl 4-[5-ethyl-6-(methylamino)pyrimidin-4-yl]piperazine-1-carboxylate
CID 107877825
ethyl 4-[5-amino-6-[2-(2-methylbenzoyl)hydrazinyl]pyrimidin-4-yl]piperazine-1-carboxylate
CID 19150942
ethyl 4-[5-amino-6-(4-chloro-3-methylphenoxy)pyrimidin-4-yl]piperazine-1-carboxylate
CID 19153249
ethyl 4-(6-chloro-5-ethylpyrimidin-4-yl)piperazine-1-carboxylate
CID 107877549
6-imidazol-1-yl-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5-diamine
CID 22540634
ethyl 4-[[4-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-2-yl]amino]piperidine-1-carboxylate
CID 112897879
6-N-(3,5-dimethylphenyl)-4-N-(5-methyl-1,2-oxazol-3-yl)pyrimidine-4,5,6-triamine
CID 22540408

Frequently Asked Questions

What is the IUPAC name of ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate?
The IUPAC name of ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate (CID 22540622) is ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate.
What is the SMILES notation for ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate?
The canonical SMILES for ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate is CCOC(=O)N1CCN(c2ncnc(Nc3cc(C)on3)c2N)CC1.
What is the InChIKey of ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate?
The InChIKey is WQPWNJYKVNBZRG-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N7O3/c1-3-24-15(23)22-6-4-21(5-7-22)14-12(16)13(17-9-18-14)19-11-8-10(2)25-20-11/h8-9H,3-7,16H2,1-2H3,(H,17,18,19,20).
What are the key properties of ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate?
ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate has a molecular weight of 347.38 g/mol, XLogP of 1.38, 4 rotatable bonds, 2 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-[5-amino-6-[(5-methyl-1,2-oxazol-3-yl)amino]pyrimidin-4-yl]piperazine-1-carboxylate is sourced from PubChem (CID 22540622), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).