methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate

C12H17N3O3 — CID 116647653

IUPACmethyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(CC2CCOC2)nc1N
InChIInChI=1S/C12H17N3O3/c1-7-10(12(16)17-2)11(13)15-9(14-7)5-8-3-4-18-6-8/h8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyVELJSVAXGIJNNQ-UHFFFAOYSA-N
MW251.29 g/mol
LogP0.73
Rot. Bonds3

About methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate

methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate (PubChem CID 116647653) has the molecular formula C12H17N3O3 and a molecular weight of 251.29 g/mol. Its IUPAC name is methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
PubChem CID116647653
Molecular FormulaC12H17N3O3
Molecular Weight251.29 g/mol
Exact Mass251.13
IUPAC Namemethyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate
SMILESCOC(=O)c1c(C)nc(CC2CCOC2)nc1N
InChIInChI=1S/C12H17N3O3/c1-7-10(12(16)17-2)11(13)15-9(14-7)5-8-3-4-18-6-8/h8H,3-6H2,1-2H3,(H2,13,14,15)
InChIKeyVELJSVAXGIJNNQ-UHFFFAOYSA-N
XLogP0.73
TPSA87.33 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500251.29
LogP ≤ 50.73
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
The IUPAC name of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate (CID 116647653) is methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate is COC(=O)c1c(C)nc(CC2CCOC2)nc1N.
What is the InChIKey of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
The InChIKey is VELJSVAXGIJNNQ-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O3/c1-7-10(12(16)17-2)11(13)15-9(14-7)5-8-3-4-18-6-8/h8H,3-6H2,1-2H3,(H2,13,14,15).
What are the key properties of methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate?
methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate has a molecular weight of 251.29 g/mol, XLogP of 0.73, 3 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-6-methyl-2-(oxolan-3-ylmethyl)pyrimidine-5-carboxylate is sourced from PubChem (CID 116647653), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).