methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate

C10H16N4O2 — CID 66285906

IUPACmethyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N(C)CCN)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(14(2)5-4-11)13-9(12-7)10(15)16-3/h6H,4-5,11H2,1-3H3
InChIKeyOXUWUXNJTNKIHD-UHFFFAOYSA-N
MW224.26 g/mol
LogP-0.03
Rot. Bonds4

About methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate

methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66285906) has the molecular formula C10H16N4O2 and a molecular weight of 224.26 g/mol. Its IUPAC name is methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
PubChem CID66285906
Molecular FormulaC10H16N4O2
Molecular Weight224.26 g/mol
Exact Mass224.13
IUPAC Namemethyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(N(C)CCN)n1
InChIInChI=1S/C10H16N4O2/c1-7-6-8(14(2)5-4-11)13-9(12-7)10(15)16-3/h6H,4-5,11H2,1-3H3
InChIKeyOXUWUXNJTNKIHD-UHFFFAOYSA-N
XLogP-0.03
TPSA81.34 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500224.26
LogP ≤ 5-0.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate (CID 66285906) is methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(N(C)CCN)n1.
What is the InChIKey of methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is OXUWUXNJTNKIHD-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H16N4O2/c1-7-6-8(14(2)5-4-11)13-9(12-7)10(15)16-3/h6H,4-5,11H2,1-3H3.
What are the key properties of methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 224.26 g/mol, XLogP of -0.03, 4 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[2-aminoethyl(methyl)amino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285906), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).