methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate

C14H24N4O2 — CID 66285245

IUPACmethyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)11(8-18(4)5)16-12-7-10(3)15-13(17-12)14(19)20-6/h7,9,11H,8H2,1-6H3,(H,15,16,17)
InChIKeyIUSRBXXFZMJIBG-UHFFFAOYSA-N
MW280.37 g/mol
LogP1.57
Rot. Bonds6

About methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate

methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate (PubChem CID 66285245) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate.

Molecular Properties

Compound Namemethyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate
PubChem CID66285245
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate
SMILESCOC(=O)c1nc(C)cc(NC(CN(C)C)C(C)C)n1
InChIInChI=1S/C14H24N4O2/c1-9(2)11(8-18(4)5)16-12-7-10(3)15-13(17-12)14(19)20-6/h7,9,11H,8H2,1-6H3,(H,15,16,17)
InChIKeyIUSRBXXFZMJIBG-UHFFFAOYSA-N
XLogP1.57
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 51.57
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate?
The IUPAC name of methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate (CID 66285245) is methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate.
What is the SMILES notation for methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate?
The canonical SMILES for methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate is COC(=O)c1nc(C)cc(NC(CN(C)C)C(C)C)n1.
What is the InChIKey of methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate?
The InChIKey is IUSRBXXFZMJIBG-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-9(2)11(8-18(4)5)16-12-7-10(3)15-13(17-12)14(19)20-6/h7,9,11H,8H2,1-6H3,(H,15,16,17).
What are the key properties of methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate?
methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate has a molecular weight of 280.37 g/mol, XLogP of 1.57, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[[1-(dimethylamino)-3-methylbutan-2-yl]amino]-6-methylpyrimidine-2-carboxylate is sourced from PubChem (CID 66285245), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).