methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate

C13H20N2O2 — CID 116895269

IUPACmethyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate
SMILESCOC(=O)C(C)(C)c1nc(C)cc(C(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-8(2)10-7-9(3)14-11(15-10)13(4,5)12(16)17-6/h7-8H,1-6H3
InChIKeyUCMSPTUWJZYFLJ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.36
Rot. Bonds3

About methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate

methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate (PubChem CID 116895269) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate
PubChem CID116895269
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Namemethyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate
SMILESCOC(=O)C(C)(C)c1nc(C)cc(C(C)C)n1
InChIInChI=1S/C13H20N2O2/c1-8(2)10-7-9(3)14-11(15-10)13(4,5)12(16)17-6/h7-8H,1-6H3
InChIKeyUCMSPTUWJZYFLJ-UHFFFAOYSA-N
XLogP2.36
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-methyl-2-[4-methyl-6-(1H-pyrrol-3-yl)pyrimidin-2-yl]propanoate
CID 116895272
2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxyacetic acid
CID 114335295
2,2-dimethyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoic acid
CID 116894263
methyl 2-methyl-3-(4-methyl-6-propan-2-ylpyrimidin-2-yl)sulfanylpropanoate
CID 113491446
4,4-dimethyl-2-[[(4-methyl-6-propan-2-ylpyrimidin-2-yl)amino]methyl]pentanoic acid
CID 107475049
methyl 2-methyl-2-(5-propan-2-yl-1H-imidazol-2-yl)propanoate
CID 116880471
N-(2,2-dimethoxyethyl)-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 107390199
N-[2-(2-methoxyethoxy)ethyl]-4-methyl-6-propan-2-ylpyrimidin-2-amine
CID 113491491
methyl 4-chloro-6-propan-2-ylpyrimidine-2-carboxylate
CID 66288810
methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate
CID 116901342
2-methyl-4-(4-methyl-6-propan-2-ylpyrimidin-2-yl)oxybenzoic acid
CID 107672524
methyl 3-(4,6-dimethylpyrimidin-2-yl)sulfanyl-2,2-dimethylpropanoate
CID 79629737

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate (CID 116895269) is methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate is COC(=O)C(C)(C)c1nc(C)cc(C(C)C)n1.
What is the InChIKey of methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate?
The InChIKey is UCMSPTUWJZYFLJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-8(2)10-7-9(3)14-11(15-10)13(4,5)12(16)17-6/h7-8H,1-6H3.
What are the key properties of methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate?
methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate has a molecular weight of 236.31 g/mol, XLogP of 2.36, 3 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-methyl-2-(4-methyl-6-propan-2-ylpyrimidin-2-yl)propanoate is sourced from PubChem (CID 116895269), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).