methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate

C12H11Cl2N3O3 — CID 58220640

IUPACmethyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(NCc2ccc(C)o2)c1Cl
InChIInChI=1S/C12H11Cl2N3O3/c1-6-3-4-7(20-6)5-15-10-8(13)9(11(18)19-2)16-12(14)17-10/h3-4H,5H2,1-2H3,(H,15,16,17)
InChIKeyAKAWUEOYYYMPNV-UHFFFAOYSA-N
MW316.14 g/mol
LogP3.08
Rot. Bonds4

About methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate

methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate (PubChem CID 58220640) has the molecular formula C12H11Cl2N3O3 and a molecular weight of 316.14 g/mol. Its IUPAC name is methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate.

Molecular Properties

Compound Namemethyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate
PubChem CID58220640
Molecular FormulaC12H11Cl2N3O3
Molecular Weight316.14 g/mol
Exact Mass315.02
IUPAC Namemethyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate
SMILESCOC(=O)c1nc(Cl)nc(NCc2ccc(C)o2)c1Cl
InChIInChI=1S/C12H11Cl2N3O3/c1-6-3-4-7(20-6)5-15-10-8(13)9(11(18)19-2)16-12(14)17-10/h3-4H,5H2,1-2H3,(H,15,16,17)
InChIKeyAKAWUEOYYYMPNV-UHFFFAOYSA-N
XLogP3.08
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500316.14
LogP ≤ 53.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate?
The IUPAC name of methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate (CID 58220640) is methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate.
What is the SMILES notation for methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate?
The canonical SMILES for methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate is COC(=O)c1nc(Cl)nc(NCc2ccc(C)o2)c1Cl.
What is the InChIKey of methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate?
The InChIKey is AKAWUEOYYYMPNV-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H11Cl2N3O3/c1-6-3-4-7(20-6)5-15-10-8(13)9(11(18)19-2)16-12(14)17-10/h3-4H,5H2,1-2H3,(H,15,16,17).
What are the key properties of methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate?
methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate has a molecular weight of 316.14 g/mol, XLogP of 3.08, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2,5-dichloro-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-4-carboxylate is sourced from PubChem (CID 58220640), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).