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

C13H15N3O3 — CID 66284656

IUPACmethyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ccc(C)o2)n1
InChIInChI=1S/C13H15N3O3/c1-8-6-11(16-12(15-8)13(17)18-3)14-7-10-5-4-9(2)19-10/h4-6H,7H2,1-3H3,(H,14,15,16)
InChIKeyGVWFDLBMYORSOP-UHFFFAOYSA-N
MW261.28 g/mol
LogP2.09
Rot. Bonds4

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

methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate (PubChem CID 66284656) has the molecular formula C13H15N3O3 and a molecular weight of 261.28 g/mol. Its IUPAC name is methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
PubChem CID66284656
Molecular FormulaC13H15N3O3
Molecular Weight261.28 g/mol
Exact Mass261.11
IUPAC Namemethyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NCc2ccc(C)o2)n1
InChIInChI=1S/C13H15N3O3/c1-8-6-11(16-12(15-8)13(17)18-3)14-7-10-5-4-9(2)19-10/h4-6H,7H2,1-3H3,(H,14,15,16)
InChIKeyGVWFDLBMYORSOP-UHFFFAOYSA-N
XLogP2.09
TPSA77.25 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500261.28
LogP ≤ 52.09
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

methyl 4-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate
CID 66284657
methyl 4-methyl-6-(pyridin-4-ylmethylamino)pyrimidine-2-carboxylate
CID 66286224
2-chloro-6-methyl-N-[(5-methylfuran-2-yl)methyl]pyrimidin-4-amine
CID 62523397
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
CID 66284897
methyl 4-[[4-(hydroxymethyl)phenyl]methylamino]-6-methylpyrimidine-2-carboxylate
CID 107232375
methyl 4-(2-hydroxyethylamino)-6-methylpyrimidine-2-carboxylate
CID 66285824
methyl 4-methyl-6-(pyridin-2-ylmethylamino)pyrimidine-2-carboxylate
CID 66287616
methyl 4-methyl-6-[(2-methyl-1,3-thiazol-4-yl)methylamino]pyrimidine-2-carboxylate
CID 66286050
methyl 4-methyl-6-(5-methylfuran-2-yl)pyrimidine-2-carboxylate
CID 116895233
methyl 4-methyl-6-(1H-1,2,4-triazol-5-ylmethylamino)pyrimidine-2-carboxylate
CID 66286437
methyl 4-methyl-6-(methylamino)pyrimidine-2-carboxylate
CID 66284805
3-[(2-methoxycarbonyl-6-methylpyrimidin-4-yl)amino]-2,2-dimethylpropanoic acid
CID 113307925

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate (CID 66284656) is methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NCc2ccc(C)o2)n1.
What is the InChIKey of methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate?
The InChIKey is GVWFDLBMYORSOP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H15N3O3/c1-8-6-11(16-12(15-8)13(17)18-3)14-7-10-5-4-9(2)19-10/h4-6H,7H2,1-3H3,(H,14,15,16).
What are the key properties of methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate has a molecular weight of 261.28 g/mol, XLogP of 2.09, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[(5-methylfuran-2-yl)methylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66284656), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).