methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate

C10H16N4O2 — CID 66284897

IUPACmethyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
SMILESCNCCNc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(12-5-4-11-2)14-9(13-7)10(15)16-3/h6,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyYPSFYHOITADSSZ-UHFFFAOYSA-N
MW224.26 g/mol
LogP0.20
Rot. Bonds5

About methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate

methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate (PubChem CID 66284897) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
PubChem CID66284897
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate
SMILESCNCCNc1cc(C)nc(C(=O)OC)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(12-5-4-11-2)14-9(13-7)10(15)16-3/h6,11H,4-5H2,1-3H3,(H,12,13,14)
InChIKeyYPSFYHOITADSSZ-UHFFFAOYSA-N
XLogP0.20
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 50.20
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate?
The IUPAC name of methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate (CID 66284897) is methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate is CNCCNc1cc(C)nc(C(=O)OC)n1.
What is the InChIKey of methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate?
The InChIKey is YPSFYHOITADSSZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-6-8(12-5-4-11-2)14-9(13-7)10(15)16-3/h6,11H,4-5H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate?
methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of 0.20, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-6-[2-(methylamino)ethylamino]pyrimidine-2-carboxylate is sourced from PubChem (CID 66284897), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).