methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate

C9H13N3O2 — CID 66286552

IUPACmethyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate
SMILESCCc1c(C)nc(C(=O)OC)nc1N
InChIInChI=1S/C9H13N3O2/c1-4-6-5(2)11-8(9(13)14-3)12-7(6)10/h4H2,1-3H3,(H2,10,11,12)
InChIKeyYBPJDUUFRSRMKW-UHFFFAOYSA-N
MW195.22 g/mol
LogP0.72
Rot. Bonds2

About methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate

methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate (PubChem CID 66286552) has the molecular formula C9H13N3O2 and a molecular weight of 195.22 g/mol. Its IUPAC name is methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate
PubChem CID66286552
Molecular FormulaC9H13N3O2
Molecular Weight195.22 g/mol
Exact Mass195.10
IUPAC Namemethyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate
SMILESCCc1c(C)nc(C(=O)OC)nc1N
InChIInChI=1S/C9H13N3O2/c1-4-6-5(2)11-8(9(13)14-3)12-7(6)10/h4H2,1-3H3,(H2,10,11,12)
InChIKeyYBPJDUUFRSRMKW-UHFFFAOYSA-N
XLogP0.72
TPSA78.10 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 ≤ 50.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate (CID 66286552) is methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate is CCc1c(C)nc(C(=O)OC)nc1N.
What is the InChIKey of methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate?
The InChIKey is YBPJDUUFRSRMKW-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O2/c1-4-6-5(2)11-8(9(13)14-3)12-7(6)10/h4H2,1-3H3,(H2,10,11,12).
What are the key properties of methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate?
methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate has a molecular weight of 195.22 g/mol, XLogP of 0.72, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-amino-5-ethyl-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66286552), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).