methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate

C11H12N4O3 — CID 106373701

IUPACmethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCc2ncc(C)o2)n1
InChIInChI=1S/C11H12N4O3/c1-7-5-14-9(18-7)6-13-8-3-4-12-10(15-8)11(16)17-2/h3-5H,6H2,1-2H3,(H,12,13,15)
InChIKeyKVWOPOAGYDOOPF-UHFFFAOYSA-N
MW248.24 g/mol
LogP1.17
Rot. Bonds4

About methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate

methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate (PubChem CID 106373701) has the molecular formula C11H12N4O3 and a molecular weight of 248.24 g/mol. Its IUPAC name is methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate
PubChem CID106373701
Molecular FormulaC11H12N4O3
Molecular Weight248.24 g/mol
Exact Mass248.09
IUPAC Namemethyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate
SMILESCOC(=O)c1nccc(NCc2ncc(C)o2)n1
InChIInChI=1S/C11H12N4O3/c1-7-5-14-9(18-7)6-13-8-3-4-12-10(15-8)11(16)17-2/h3-5H,6H2,1-2H3,(H,12,13,15)
InChIKeyKVWOPOAGYDOOPF-UHFFFAOYSA-N
XLogP1.17
TPSA90.14 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds4
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500248.24
LogP ≤ 51.17
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

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Related Compounds

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CID 106375375
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CID 106375471
CID 106375471
CID 106375480
CID 106375480
CID 106378424
CID 106378424
CID 106378499
CID 106378499
CID 106378528
CID 106378528

Frequently Asked Questions

What is the IUPAC name of methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate (CID 106373701) is methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate is COC(=O)c1nccc(NCc2ncc(C)o2)n1.
What is the InChIKey of methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate?
The InChIKey is KVWOPOAGYDOOPF-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H12N4O3/c1-7-5-14-9(18-7)6-13-8-3-4-12-10(15-8)11(16)17-2/h3-5H,6H2,1-2H3,(H,12,13,15).
What are the key properties of methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate?
methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate has a molecular weight of 248.24 g/mol, XLogP of 1.17, 4 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[(5-methyl-1,3-oxazol-2-yl)methylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 106373701), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).