ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate

C14H19N3O3 — CID 83180168

IUPACethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC3CCC2O3)nc1C
InChIInChI=1S/C14H19N3O3/c1-3-19-13(18)10-7-15-14(16-8(10)2)17-11-6-9-4-5-12(11)20-9/h7,9,11-12H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyUYYIHXJBBOBFLY-UHFFFAOYSA-N
MW277.32 g/mol
LogP1.69
Rot. Bonds4

About ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate

ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate (PubChem CID 83180168) has the molecular formula C14H19N3O3 and a molecular weight of 277.32 g/mol. Its IUPAC name is ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
PubChem CID83180168
Molecular FormulaC14H19N3O3
Molecular Weight277.32 g/mol
Exact Mass277.14
IUPAC Nameethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(NC2CC3CCC2O3)nc1C
InChIInChI=1S/C14H19N3O3/c1-3-19-13(18)10-7-15-14(16-8(10)2)17-11-6-9-4-5-12(11)20-9/h7,9,11-12H,3-6H2,1-2H3,(H,15,16,17)
InChIKeyUYYIHXJBBOBFLY-UHFFFAOYSA-N
XLogP1.69
TPSA73.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.32
LogP ≤ 51.69
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

ethyl 2-[(2-aminocycloheptyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83180712
ethyl 2-[[2-(aminomethyl)cyclohexyl]amino]-4-methylpyrimidine-5-carboxylate
CID 83178883
ethyl 4-methyl-2-(piperidin-3-ylamino)pyrimidine-5-carboxylate
CID 83181624
ethyl 2-(cyclohex-3-en-1-ylamino)-4-methylpyrimidine-5-carboxylate
CID 83178577
ethyl 3-amino-5-(7-oxabicyclo[2.2.1]heptan-2-ylamino)-1,2-thiazole-4-carboxylate
CID 103383522
ethyl 2-(2-ethylbutylamino)-4-methylpyrimidine-5-carboxylate
CID 115967543
ethyl 4-methyl-2-[1-(oxolan-2-yl)ethylamino]pyrimidine-5-carboxylate
CID 83178981
ethyl 2-[(2-amino-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylate
CID 83181700
ethyl 2-(cyclopropylamino)-4-ethylpyrimidine-5-carboxylate
CID 102972850
ethyl 4-methyl-2-[1-(oxolan-3-yl)ethylamino]pyrimidine-5-carboxylate
CID 115967564
ethyl 4-amino-2-(cyclohexylamino)pyrimidine-5-carboxylate
CID 25020838
ethyl 2-[(5-ethyl-1,3-oxazol-2-yl)methylamino]-4-methylpyrimidine-5-carboxylate
CID 104918606

Frequently Asked Questions

What is the IUPAC name of ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate (CID 83180168) is ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(NC2CC3CCC2O3)nc1C.
What is the InChIKey of ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate?
The InChIKey is UYYIHXJBBOBFLY-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H19N3O3/c1-3-19-13(18)10-7-15-14(16-8(10)2)17-11-6-9-4-5-12(11)20-9/h7,9,11-12H,3-6H2,1-2H3,(H,15,16,17).
What are the key properties of ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate?
ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate has a molecular weight of 277.32 g/mol, XLogP of 1.69, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 4-methyl-2-(7-oxabicyclo[2.2.1]heptan-2-ylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 83180168), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).