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

C8H11N3O2 — CID 91663005

IUPACethyl 2-amino-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)ncc1C
InChIInChI=1S/C8H11N3O2/c1-3-13-7(12)6-5(2)4-10-8(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyMPVMKLSEOBLSHV-UHFFFAOYSA-N
MW181.19 g/mol
LogP0.54
Rot. Bonds2

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

ethyl 2-amino-5-methylpyrimidine-4-carboxylate (PubChem CID 91663005) has the molecular formula C8H11N3O2 and a molecular weight of 181.19 g/mol. Its IUPAC name is ethyl 2-amino-5-methylpyrimidine-4-carboxylate.

Molecular Properties

Compound Nameethyl 2-amino-5-methylpyrimidine-4-carboxylate
PubChem CID91663005
Molecular FormulaC8H11N3O2
Molecular Weight181.19 g/mol
Exact Mass181.09
IUPAC Nameethyl 2-amino-5-methylpyrimidine-4-carboxylate
SMILESCCOC(=O)c1nc(N)ncc1C
InChIInChI=1S/C8H11N3O2/c1-3-13-7(12)6-5(2)4-10-8(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11)
InChIKeyMPVMKLSEOBLSHV-UHFFFAOYSA-N
XLogP0.54
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms13
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500181.19
LogP ≤ 50.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4,5-Diethyl pyrimidine-4,5-dicarboxylate
CID 13000769
Methyl pyrimidine-4-carboxylate
CID 254248
Ethyl pyrimidine-4-carboxylate
CID 13639438
Ethyl 5-bromopyrimidine-4-carboxylate
CID 21329195
5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CID 459813
Methyl 2-methoxypyrimidine-4-carboxylate
CID 12570284
Methyl 2-methylpyrimidine-4-carboxylate
CID 12946332
Methyl 2-fluoropyrimidine-4-carboxylate
CID 19868782
Ethyl 5-chloropyrimidine-4-carboxylate
CID 21329182
Ethyl 2-chloropyrimidine-4-carboxylate
CID 22509306
Methyl 2-chloropyrimidine-4-carboxylate
CID 43811076
2,5-Dimethylpyrimidine-4-carboxylic acid
CID 45082030

Frequently Asked Questions

What is the IUPAC name of ethyl 2-amino-5-methylpyrimidine-4-carboxylate?
The IUPAC name of ethyl 2-amino-5-methylpyrimidine-4-carboxylate (CID 91663005) is ethyl 2-amino-5-methylpyrimidine-4-carboxylate.
What is the SMILES notation for ethyl 2-amino-5-methylpyrimidine-4-carboxylate?
The canonical SMILES for ethyl 2-amino-5-methylpyrimidine-4-carboxylate is CCOC(=O)c1nc(N)ncc1C.
What is the InChIKey of ethyl 2-amino-5-methylpyrimidine-4-carboxylate?
The InChIKey is MPVMKLSEOBLSHV-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H11N3O2/c1-3-13-7(12)6-5(2)4-10-8(9)11-6/h4H,3H2,1-2H3,(H2,9,10,11).
What are the key properties of ethyl 2-amino-5-methylpyrimidine-4-carboxylate?
ethyl 2-amino-5-methylpyrimidine-4-carboxylate has a molecular weight of 181.19 g/mol, XLogP of 0.54, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-amino-5-methylpyrimidine-4-carboxylate is sourced from PubChem (CID 91663005), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).