methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate

C14H23N3O3 — CID 115973715

IUPACmethyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate
SMILESCCCOc1cc(C)nc(N(C)CC(C)C(=O)OC)n1
InChIInChI=1S/C14H23N3O3/c1-6-7-20-12-8-11(3)15-14(16-12)17(4)9-10(2)13(18)19-5/h8,10H,6-7,9H2,1-5H3
InChIKeyHOYNXKHHOCXZNT-UHFFFAOYSA-N
MW281.36 g/mol
LogP1.82
Rot. Bonds7

About methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate

methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate (PubChem CID 115973715) has the molecular formula C14H23N3O3 and a molecular weight of 281.36 g/mol. Its IUPAC name is methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate
PubChem CID115973715
Molecular FormulaC14H23N3O3
Molecular Weight281.36 g/mol
Exact Mass281.17
IUPAC Namemethyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate
SMILESCCCOc1cc(C)nc(N(C)CC(C)C(=O)OC)n1
InChIInChI=1S/C14H23N3O3/c1-6-7-20-12-8-11(3)15-14(16-12)17(4)9-10(2)13(18)19-5/h8,10H,6-7,9H2,1-5H3
InChIKeyHOYNXKHHOCXZNT-UHFFFAOYSA-N
XLogP1.82
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 ≤ 51.82
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 106

Analyze methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate with MolForge

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Related Compounds

methyl 2-methyl-3-[methyl-(6-propoxypyrimidin-4-yl)amino]propanoate
CID 66331782
methyl 3-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]propanoate
CID 112635260
methyl 4-[(4-ethoxy-6-methylpyrimidin-2-yl)-methylamino]butanoate
CID 112635237
methyl (2R)-3-[(5-bromopyrimidin-2-yl)-methylamino]-2-methylpropanoate
CID 97019810
methyl 4-[methyl-(4-methyl-6-propan-2-yloxypyrimidin-2-yl)amino]butanoate
CID 115973708
1,1-dimethyl-2-(4-methyl-6-propoxypyrimidin-2-yl)hydrazine
CID 112638424
3-[(4,6-dimethylpyrimidin-2-yl)-methylamino]-N'-hydroxy-2-methylpropanimidamide
CID 54992230
N-(2-bromopropyl)-4-methoxy-N,6-dimethylpyrimidin-2-amine
CID 112635692
methyl 3-[(5,6-diethyl-1,2,4-triazin-3-yl)-methylamino]-2-methylpropanoate
CID 105363266
1-N,1-N,3-trimethyl-2-N-(4-methyl-6-propoxypyrimidin-2-yl)butane-1,2-diamine
CID 115974718
4-methyl-N-propan-2-yl-6-propoxypyrimidin-2-amine
CID 112636364
N-(2-chloropropyl)-N,4-dimethyl-6-propan-2-yloxypyrimidin-2-amine
CID 112635531

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate?
The IUPAC name of methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate (CID 115973715) is methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate.
What is the SMILES notation for methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate?
The canonical SMILES for methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate is CCCOc1cc(C)nc(N(C)CC(C)C(=O)OC)n1.
What is the InChIKey of methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate?
The InChIKey is HOYNXKHHOCXZNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H23N3O3/c1-6-7-20-12-8-11(3)15-14(16-12)17(4)9-10(2)13(18)19-5/h8,10H,6-7,9H2,1-5H3.
What are the key properties of methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate?
methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate has a molecular weight of 281.36 g/mol, XLogP of 1.82, 7 rotatable bonds, 0 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-3-[methyl-(4-methyl-6-propoxypyrimidin-2-yl)amino]propanoate is sourced from PubChem (CID 115973715), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).