methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate

C9H13N3O3 — CID 83834963

IUPACmethyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate
SMILESCNCCn1cc(C(=O)OC)cnc1=O
InChIInChI=1S/C9H13N3O3/c1-10-3-4-12-6-7(8(13)15-2)5-11-9(12)14/h5-6,10H,3-4H2,1-2H3
InChIKeyNSECBEQPNUFGMB-UHFFFAOYSA-N
MW211.22 g/mol
LogP-0.75
Rot. Bonds4

About methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate

methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate (PubChem CID 83834963) has the molecular formula C9H13N3O3 and a molecular weight of 211.22 g/mol. Its IUPAC name is methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate.

Molecular Properties

Compound Namemethyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate
PubChem CID83834963
Molecular FormulaC9H13N3O3
Molecular Weight211.22 g/mol
Exact Mass211.10
IUPAC Namemethyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate
SMILESCNCCn1cc(C(=O)OC)cnc1=O
InChIInChI=1S/C9H13N3O3/c1-10-3-4-12-6-7(8(13)15-2)5-11-9(12)14/h5-6,10H,3-4H2,1-2H3
InChIKeyNSECBEQPNUFGMB-UHFFFAOYSA-N
XLogP-0.75
TPSA73.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500211.22
LogP ≤ 5-0.75
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate?
The IUPAC name of methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate (CID 83834963) is methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate.
What is the SMILES notation for methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate?
The canonical SMILES for methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate is CNCCn1cc(C(=O)OC)cnc1=O.
What is the InChIKey of methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate?
The InChIKey is NSECBEQPNUFGMB-UHFFFAOYSA-N. The full InChI is InChI=1S/C9H13N3O3/c1-10-3-4-12-6-7(8(13)15-2)5-11-9(12)14/h5-6,10H,3-4H2,1-2H3.
What are the key properties of methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate?
methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate has a molecular weight of 211.22 g/mol, XLogP of -0.75, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[2-(methylamino)ethyl]-2-oxopyrimidine-5-carboxylate is sourced from PubChem (CID 83834963), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).