methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate

C10H16N4O2 — CID 3503179

IUPACmethyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-13(2)8-6-7(9(15)16-5)11-10(12-8)14(3)4/h6H,1-5H3
InChIKeyYMIIBNOYEHYBLZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.40
Rot. Bonds3

About methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate

methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate (PubChem CID 3503179) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate
PubChem CID3503179
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate
SMILESCOC(=O)c1cc(N(C)C)nc(N(C)C)n1
InChIInChI=1S/C10H16N4O2/c1-13(2)8-6-7(9(15)16-5)11-10(12-8)14(3)4/h6H,1-5H3
InChIKeyYMIIBNOYEHYBLZ-UHFFFAOYSA-N
XLogP0.40
TPSA58.56 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.40
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate?
The IUPAC name of methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate (CID 3503179) is methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate is COC(=O)c1cc(N(C)C)nc(N(C)C)n1.
What is the InChIKey of methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate?
The InChIKey is YMIIBNOYEHYBLZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-13(2)8-6-7(9(15)16-5)11-10(12-8)14(3)4/h6H,1-5H3.
What are the key properties of methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate?
methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.40, 3 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,6-bis(dimethylamino)pyrimidine-4-carboxylate is sourced from PubChem (CID 3503179), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).