ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate

C13H20N2O2 — CID 22831820

IUPACethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)nc1C(C)C
InChIInChI=1S/C13H20N2O2/c1-6-17-13(16)10-7-14-12(9(4)5)15-11(10)8(2)3/h7-9H,6H2,1-5H3
InChIKeyPKXKTXYISSIGBZ-UHFFFAOYSA-N
MW236.31 g/mol
LogP2.90
Rot. Bonds4

About ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate

ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate (PubChem CID 22831820) has the molecular formula C13H20N2O2 and a molecular weight of 236.31 g/mol. Its IUPAC name is ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
PubChem CID22831820
Molecular FormulaC13H20N2O2
Molecular Weight236.31 g/mol
Exact Mass236.15
IUPAC Nameethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(C)C)nc1C(C)C
InChIInChI=1S/C13H20N2O2/c1-6-17-13(16)10-7-14-12(9(4)5)15-11(10)8(2)3/h7-9H,6H2,1-5H3
InChIKeyPKXKTXYISSIGBZ-UHFFFAOYSA-N
XLogP2.90
TPSA52.08 Ų
H-Bond Donors
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500236.31
LogP ≤ 52.90
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 104

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Related Compounds

ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102972953
ethyl 4-propan-2-yl-2-(2,2,2-trifluoroethoxymethyl)pyrimidine-5-carboxylate
CID 103476114
ethyl 2-(3-chlorophenyl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102973010
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388
ethyl 4-(2,4-dichlorophenoxy)-2-propan-2-ylpyrimidine-5-carboxylate
CID 69318080
ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102972984
2-(1-ethoxypropyl)-4-propan-2-ylpyrimidine-5-carboxylic acid
CID 116728160
ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
CID 116533369
5-ethoxycarbonyl-4-methylpyrimidin-2-olate
CID 171316032
ethyl 2-iodo-4-methylpyrimidine-5-carboxylate
CID 89308178
ethyl 4-(chloromethyl)-2-(1-methoxyethyl)pyrimidine-5-carboxylate
CID 102973323
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540

Frequently Asked Questions

What is the IUPAC name of ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate?
The IUPAC name of ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate (CID 22831820) is ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(C)C)nc1C(C)C.
What is the InChIKey of ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate?
The InChIKey is PKXKTXYISSIGBZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O2/c1-6-17-13(16)10-7-14-12(9(4)5)15-11(10)8(2)3/h7-9H,6H2,1-5H3.
What are the key properties of ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate?
ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate has a molecular weight of 236.31 g/mol, XLogP of 2.90, 4 rotatable bonds, 0 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate is sourced from PubChem (CID 22831820), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).