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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Related Compounds

methyl 4-amino-6-tert-butyl-5-iodopyrimidine-2-carboxylate
CID 66307220
5-ethyl-6-methyl-2-(methylsulfanylmethyl)pyrimidin-4-amine
CID 62693645
methyl 4,5-dimethyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284945
dimethyl 3,6-diaminopyrazine-2,5-dicarboxylate
CID 15404197
methyl 4-fluoro-5-iodo-6-methylpyrimidine-2-carboxylate
CID 164648909
4-O-ethyl 2-O-methyl 6-chloro-5-methylpyrimidine-2,4-dicarboxylate
CID 10445251
methyl 4-amino-6-methyl-2-(2-methylpropyl)pyrimidine-5-carboxylate
CID 116647606
6-methoxycarbonyl-1,3,5-triazine-2,4-dicarboxylic acid
CID 68537450
methyl 3-amino-5-(dimethylamino)-6-methylpyrazine-2-carboxylate
CID 129415851
methyl 5-bromo-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66304871
methyl 4,6-dichloro-5-methylpyrimidine-2-carboxylate
CID 58937974
methyl 5-amino-2,6-dimethylpyrimidine-4-carboxylate
CID 18175252

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).