methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate

C12H18N2O2 — CID 116901340

IUPACmethyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate
SMILESCCCc1ccnc(C(C)(C)C(=O)OC)n1
InChIInChI=1S/C12H18N2O2/c1-5-6-9-7-8-13-10(14-9)12(2,3)11(15)16-4/h7-8H,5-6H2,1-4H3
InChIKeyAORWISNHTXKPCX-UHFFFAOYSA-N
MW222.29 g/mol
LogP1.88
Rot. Bonds4

About methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate

methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate (PubChem CID 116901340) has the molecular formula C12H18N2O2 and a molecular weight of 222.29 g/mol. Its IUPAC name is methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate.

Molecular Properties

Compound Namemethyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate
PubChem CID116901340
Molecular FormulaC12H18N2O2
Molecular Weight222.29 g/mol
Exact Mass222.14
IUPAC Namemethyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate
SMILESCCCc1ccnc(C(C)(C)C(=O)OC)n1
InChIInChI=1S/C12H18N2O2/c1-5-6-9-7-8-13-10(14-9)12(2,3)11(15)16-4/h7-8H,5-6H2,1-4H3
InChIKeyAORWISNHTXKPCX-UHFFFAOYSA-N
XLogP1.88
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500222.29
LogP ≤ 51.88
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

methyl 2-(4-tert-butylpyrimidin-2-yl)-2-methylpropanoate
CID 116901342
methyl 2-(4-cyclohexylpyrimidin-2-yl)-2-methylpropanoate
CID 116901356
methyl 2-methyl-2-[4-(5-methylfuran-2-yl)pyrimidin-2-yl]propanoate
CID 116901354
1-(4-propylpyrimidin-2-yl)propan-2-one
CID 116901542
methyl 3-[4-(bromomethyl)pyrimidin-2-yl]oxy-2,2-dimethylpropanoate
CID 155658264
N-[[2-(2-methoxypropan-2-yl)pyrimidin-4-yl]methyl]propan-1-amine
CID 79198540
N-ethyl-3-(4-propylpyrimidin-2-yl)propanamide
CID 71109501
2-(2-methyl-1-piperazin-1-ylpropan-2-yl)-4-propylpyrimidine
CID 116903444
azane;2,4-dipropylpyrimidine
CID 174500974
(4-propylpyrimidin-2-yl)hydrazine
CID 116904097
methyl 4-(3-chloropropyl)pyrimidine-2-carboxylate
CID 141400415
methyl 2-methyl-2-pyridin-4-ylpropanoate
CID 57421204

Frequently Asked Questions

What is the IUPAC name of methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate?
The IUPAC name of methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate (CID 116901340) is methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate.
What is the SMILES notation for methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate?
The canonical SMILES for methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate is CCCc1ccnc(C(C)(C)C(=O)OC)n1.
What is the InChIKey of methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate?
The InChIKey is AORWISNHTXKPCX-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H18N2O2/c1-5-6-9-7-8-13-10(14-9)12(2,3)11(15)16-4/h7-8H,5-6H2,1-4H3.
What are the key properties of methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate?
methyl 2-methyl-2-(4-propylpyrimidin-2-yl)propanoate has a molecular weight of 222.29 g/mol, XLogP of 1.88, 4 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-propylpyrimidin-2-yl)propanoate is sourced from PubChem (CID 116901340), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).