methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate

C14H23N3O3 — CID 115973708

IUPACmethyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)20-12-9-11(3)15-14(16-12)17(4)8-6-7-13(18)19-5/h9-10H,6-8H2,1-5H3
InChIKeyXQXWLTWOVFCKMV-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.96
Rot. Bonds7

About methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate

methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate (PubChem CID 115973708) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate.

Molecular Properties

Compound Namemethyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
PubChem CID115973708
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
SMILESCOC(=O)CCCN(C)c1nc(C)cc(OC(C)C)n1
InChIInChI=1S/C14H23N3O3/c1-10(2)20-12-9-11(3)15-14(16-12)17(4)8-6-7-13(18)19-5/h9-10H,6-8H2,1-5H3
InChIKeyXQXWLTWOVFCKMV-UHFFFAOYSA-N
XLogP1.96
TPSA64.55 Ų
H-Bond Donors
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500281.36
LogP ≤ 51.96
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

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Related Compounds

4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoic acid
CID 112634351
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
N'-methyl-N'-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)pentane-1,5-diamine
CID 107207107
methyl 3-[methyl-(4-propan-2-yloxypyrimidin-2-yl)amino]propanoate
CID 112638970
N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635531
methyl 4-[methyl(pyrimidin-2-yl)amino]butanoate
CID 62006126
methyl 4-[(4-methoxy-4-oxobutyl)-methylamino]-6-methylpyrimidine-2-carboxylate
CID 66286542
methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate
CID 115973715
methyl 4-[methyl-(4-propoxypyrimidin-2-yl)amino]butanoate
CID 112638953
2-[tert-butyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]acetic acid
CID 115973161
4-[(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanamide
CID 112636850

Frequently Asked Questions

What is the IUPAC name of methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate?
The IUPAC name of methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate (CID 115973708) is methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate.
What is the SMILES notation for methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate?
The canonical SMILES for methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate is COC(=O)CCCN(C)c1nc(C)cc(OC(C)C)n1.
What is the InChIKey of methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate?
The InChIKey is XQXWLTWOVFCKMV-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-10(2)20-12-9-11(3)15-14(16-12)17(4)8-6-7-13(18)19-5/h9-10H,6-8H2,1-5H3.
What are the key properties of methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate?
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate has a molecular weight of 281.36 g/mol, XLogP of 1.96, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate is sourced from PubChem (CID 115973708), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).