methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate

C11H10ClN3O2S — CID 58291682

IUPACmethyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)s2)nc(N)c1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-5-3-4-6(18-5)10-14-8(11(16)17-2)7(12)9(13)15-10/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyOPXJBGQUBRTOEG-UHFFFAOYSA-N
MW283.74 g/mol
LogP2.54
Rot. Bonds2

About methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate

methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate (PubChem CID 58291682) has the molecular formula C11H10ClN3O2S and a molecular weight of 283.74 g/mol. Its IUPAC name is methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate
PubChem CID58291682
Molecular FormulaC11H10ClN3O2S
Molecular Weight283.74 g/mol
Exact Mass283.02
IUPAC Namemethyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(C)s2)nc(N)c1Cl
InChIInChI=1S/C11H10ClN3O2S/c1-5-3-4-6(18-5)10-14-8(11(16)17-2)7(12)9(13)15-10/h3-4H,1-2H3,(H2,13,14,15)
InChIKeyOPXJBGQUBRTOEG-UHFFFAOYSA-N
XLogP2.54
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500283.74
LogP ≤ 52.54
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate (CID 58291682) is methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(C)s2)nc(N)c1Cl.
What is the InChIKey of methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate?
The InChIKey is OPXJBGQUBRTOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H10ClN3O2S/c1-5-3-4-6(18-5)10-14-8(11(16)17-2)7(12)9(13)15-10/h3-4H,1-2H3,(H2,13,14,15).
What are the key properties of methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate?
methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate has a molecular weight of 283.74 g/mol, XLogP of 2.54, 2 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 6-amino-5-chloro-2-(5-methylthiophen-2-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 58291682), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).