methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate

C9H13N3O2 — CID 66284945

IUPACmethyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc(C)c1C
InChIInChI=1S/C9H13N3O2/c1-5-6(2)11-8(9(13)14-4)12-7(5)10-3/h1-4H3,(H,10,11,12)
InChIKeyMJVXYVKNNVEFQR-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.92
Rot. Bonds2

About methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate

methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate (PubChem CID 66284945) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate
PubChem CID66284945
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc(C)c1C
InChIInChI=1S/C9H13N3O2/c1-5-6(2)11-8(9(13)14-4)12-7(5)10-3/h1-4H3,(H,10,11,12)
InChIKeyMJVXYVKNNVEFQR-UHFFFAOYSA-N
XLogP0.92
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500195.22
LogP ≤ 50.92
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate (CID 66284945) is methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate is CNc1nc(C(=O)OC)nc(C)c1C.
What is the InChIKey of methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate?
The InChIKey is MJVXYVKNNVEFQR-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-5-6(2)11-8(9(13)14-4)12-7(5)10-3/h1-4H3,(H,10,11,12).
What are the key properties of methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate?
methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.92, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66284945), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).