methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate

C13H15N3O2S — CID 114214014

IUPACmethyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCCc1cccs1
InChIInChI=1S/C13H15N3O2S/c1-9-15-8-11(13(17)18-2)12(16-9)14-6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyHGLSLULRLWXJBU-UHFFFAOYSA-N
MW277.35 g/mol
LogP2.29
Rot. Bonds5

About methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate

methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate (PubChem CID 114214014) has the molecular formula C13H15N3O2S and a molecular weight of 277.35 g/mol. Its IUPAC name is methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
PubChem CID114214014
Molecular FormulaC13H15N3O2S
Molecular Weight277.35 g/mol
Exact Mass277.09
IUPAC Namemethyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate
SMILESCOC(=O)c1cnc(C)nc1NCCc1cccs1
InChIInChI=1S/C13H15N3O2S/c1-9-15-8-11(13(17)18-2)12(16-9)14-6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16)
InChIKeyHGLSLULRLWXJBU-UHFFFAOYSA-N
XLogP2.29
TPSA64.11 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500277.35
LogP ≤ 52.29
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 2-methyl-4-(2-thiophen-3-ylethylamino)pyrimidine-5-carboxylate
CID 114214204
methyl 4-methyl-6-(2-thiophen-2-ylethylamino)pyrimidine-2-carboxylate
CID 66287228
methyl 4-(2-cyclopentylethylamino)-2-methylpyrimidine-5-carboxylate
CID 114214129
4-(methoxymethyl)-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylic acid
CID 91905880
N-butyl-2-methyl-5-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 118332675
2-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 62786037
2-chloro-5-methyl-N-(2-thiophen-2-ylethyl)pyrimidin-4-amine
CID 79075871
methyl 4-[(1-ethylcyclopropyl)methylamino]-2-methylpyrimidine-5-carboxylate
CID 114214814
methyl 2-nitro-5-(2-thiophen-2-ylethylamino)benzoate
CID 36523126
methyl 2,2-dimethyl-3-(2-thiophen-2-ylethylamino)propanoate
CID 79629616
4-anilino-2-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxamide
CID 71237297
4-N-(2-methoxyethyl)-6-N-(2-thiophen-2-ylethyl)pyrimidine-4,5,6-triamine
CID 19150523

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate?
The IUPAC name of methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate (CID 114214014) is methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate.
What is the SMILES notation for methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate?
The canonical SMILES for methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate is COC(=O)c1cnc(C)nc1NCCc1cccs1.
What is the InChIKey of methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate?
The InChIKey is HGLSLULRLWXJBU-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O2S/c1-9-15-8-11(13(17)18-2)12(16-9)14-6-5-10-4-3-7-19-10/h3-4,7-8H,5-6H2,1-2H3,(H,14,15,16).
What are the key properties of methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate?
methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate has a molecular weight of 277.35 g/mol, XLogP of 2.29, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-4-(2-thiophen-2-ylethylamino)pyrimidine-5-carboxylate is sourced from PubChem (CID 114214014), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).