methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate

C12H16N2O3 — CID 154765123

IUPACmethyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cn2c(C)cc(C)nc2=O)CC1
InChIInChI=1S/C12H16N2O3/c1-8-6-9(2)14(11(16)13-8)7-12(4-5-12)10(15)17-3/h6H,4-5,7H2,1-3H3
InChIKeyTURKNZARIDZHDK-UHFFFAOYSA-N
MW236.27 g/mol
LogP0.81
Rot. Bonds3

About methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate

methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate (PubChem CID 154765123) has the molecular formula C12H16N2O3 and a molecular weight of 236.27 g/mol. Its IUPAC name is methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate.

Molecular Properties

Compound Namemethyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate
PubChem CID154765123
Molecular FormulaC12H16N2O3
Molecular Weight236.27 g/mol
Exact Mass236.12
IUPAC Namemethyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate
SMILESCOC(=O)C1(Cn2c(C)cc(C)nc2=O)CC1
InChIInChI=1S/C12H16N2O3/c1-8-6-9(2)14(11(16)13-8)7-12(4-5-12)10(15)17-3/h6H,4-5,7H2,1-3H3
InChIKeyTURKNZARIDZHDK-UHFFFAOYSA-N
XLogP0.81
TPSA61.19 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds3
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.27
LogP ≤ 50.81
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Frequently Asked Questions

What is the IUPAC name of methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate?
The IUPAC name of methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate (CID 154765123) is methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate.
What is the SMILES notation for methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate?
The canonical SMILES for methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate is COC(=O)C1(Cn2c(C)cc(C)nc2=O)CC1.
What is the InChIKey of methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate?
The InChIKey is TURKNZARIDZHDK-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H16N2O3/c1-8-6-9(2)14(11(16)13-8)7-12(4-5-12)10(15)17-3/h6H,4-5,7H2,1-3H3.
What are the key properties of methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate?
methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate has a molecular weight of 236.27 g/mol, XLogP of 0.81, 3 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 1-[(4,6-dimethyl-2-oxopyrimidin-1-yl)methyl]cyclopropane-1-carboxylate is sourced from PubChem (CID 154765123), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).