methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate

C8H10FN3O2 — CID 66286158

IUPACmethyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc(C)c1F
InChIInChI=1S/C8H10FN3O2/c1-4-5(9)6(10-2)12-7(11-4)8(13)14-3/h1-3H3,(H,10,11,12)
InChIKeyBIAWRERATFQWAM-UHFFFAOYSA-N
MW199.18 g/mol
LogP0.75
Rot. Bonds2

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

methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate (PubChem CID 66286158) has the molecular formula C8H10FN3O2 and a molecular weight of 199.18 g/mol. Its IUPAC name is methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
PubChem CID66286158
Molecular FormulaC8H10FN3O2
Molecular Weight199.18 g/mol
Exact Mass199.08
IUPAC Namemethyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate
SMILESCNc1nc(C(=O)OC)nc(C)c1F
InChIInChI=1S/C8H10FN3O2/c1-4-5(9)6(10-2)12-7(11-4)8(13)14-3/h1-3H3,(H,10,11,12)
InChIKeyBIAWRERATFQWAM-UHFFFAOYSA-N
XLogP0.75
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500199.18
LogP ≤ 50.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

Methyl 4-[(4,4-difluorocyclohexyl)amino]-6-methylpyrimidine-2-carboxylate
CID 132207411
Methyl 5-fluoro-4-methylpyrimidine-2-carboxylate
CID 176259842
N-ethyl-5-fluoro-2-(methoxymethyl)-6-methylpyrimidin-4-amine
CID 62406391
5-fluoro-2-(2-methoxyethyl)-N,6-dimethylpyrimidin-4-amine
CID 65997787
2-(1-ethoxyethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998195
2-(ethoxymethyl)-5-fluoro-N,6-dimethylpyrimidin-4-amine
CID 65998196
5-Fluoro-6-methyl-2-(propoxymethyl)pyrimidin-4-amine
CID 65998587
2-(1-ethoxyethyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998608
2-(ethoxymethyl)-N-ethyl-5-fluoro-6-methylpyrimidin-4-amine
CID 65998609
2-(1-ethoxyethyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 65998616
2-(ethoxymethyl)-5-fluoro-6-methyl-N-propylpyrimidin-4-amine
CID 65998617
5-fluoro-N,6-dimethyl-2-(propoxymethyl)pyrimidin-4-amine
CID 65998795

Frequently Asked Questions

What is the IUPAC name of methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The IUPAC name of methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate (CID 66286158) is methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The canonical SMILES for methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate is CNc1nc(C(=O)OC)nc(C)c1F.
What is the InChIKey of methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
The InChIKey is BIAWRERATFQWAM-UHFFFAOYSA-N. The full InChI is InChI=1S/C8H10FN3O2/c1-4-5(9)6(10-2)12-7(11-4)8(13)14-3/h1-3H3,(H,10,11,12).
What are the key properties of methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate?
methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate has a molecular weight of 199.18 g/mol, XLogP of 0.75, 2 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 5-fluoro-4-methyl-6-(methylamino)pyrimidine-2-carboxylate is sourced from PubChem (CID 66286158), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).