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

C10H7Cl2N3O2S — CID 58291731

IUPACmethyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)s2)nc(N)c1Cl
InChIInChI=1S/C10H7Cl2N3O2S/c1-17-10(16)7-6(12)8(13)15-9(14-7)4-2-3-5(11)18-4/h2-3H,1H3,(H2,13,14,15)
InChIKeyRSTHKKNQSCWENY-UHFFFAOYSA-N
MW304.16 g/mol
LogP2.88
Rot. Bonds2

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

methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate (PubChem CID 58291731) has the molecular formula C10H7Cl2N3O2S and a molecular weight of 304.16 g/mol. Its IUPAC name is methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate
PubChem CID58291731
Molecular FormulaC10H7Cl2N3O2S
Molecular Weight304.16 g/mol
Exact Mass302.96
IUPAC Namemethyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(-c2ccc(Cl)s2)nc(N)c1Cl
InChIInChI=1S/C10H7Cl2N3O2S/c1-17-10(16)7-6(12)8(13)15-9(14-7)4-2-3-5(11)18-4/h2-3H,1H3,(H2,13,14,15)
InChIKeyRSTHKKNQSCWENY-UHFFFAOYSA-N
XLogP2.88
TPSA78.10 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500304.16
LogP ≤ 52.88
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-chlorothiophen-2-yl)pyrimidine-4-carboxylate?
The IUPAC name of methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate (CID 58291731) is methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate?
The canonical SMILES for methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate is COC(=O)c1nc(-c2ccc(Cl)s2)nc(N)c1Cl.
What is the InChIKey of methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate?
The InChIKey is RSTHKKNQSCWENY-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H7Cl2N3O2S/c1-17-10(16)7-6(12)8(13)15-9(14-7)4-2-3-5(11)18-4/h2-3H,1H3,(H2,13,14,15).
What are the key properties of methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate?
methyl 6-amino-5-chloro-2-(5-chlorothiophen-2-yl)pyrimidine-4-carboxylate has a molecular weight of 304.16 g/mol, XLogP of 2.88, 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-chlorothiophen-2-yl)pyrimidine-4-carboxylate is sourced from PubChem (CID 58291731), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).