ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate

C16H26N2O3 — CID 102972953

IUPACethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(CC)(CC)OC)nc1C(C)C
InChIInChI=1S/C16H26N2O3/c1-7-16(8-2,20-6)15-17-10-12(14(19)21-9-3)13(18-15)11(4)5/h10-11H,7-9H2,1-6H3
InChIKeyOCJGFIBMGYJPOL-UHFFFAOYSA-N
MW294.40 g/mol
LogP3.44
Rot. Bonds7

About ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate

ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 102972953) has the molecular formula C16H26N2O3 and a molecular weight of 294.40 g/mol. Its IUPAC name is ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate
PubChem CID102972953
Molecular FormulaC16H26N2O3
Molecular Weight294.40 g/mol
Exact Mass294.19
IUPAC Nameethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C(CC)(CC)OC)nc1C(C)C
InChIInChI=1S/C16H26N2O3/c1-7-16(8-2,20-6)15-17-10-12(14(19)21-9-3)13(18-15)11(4)5/h10-11H,7-9H2,1-6H3
InChIKeyOCJGFIBMGYJPOL-UHFFFAOYSA-N
XLogP3.44
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 53.44
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 105

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Related Compounds

ethyl 2,4-di(propan-2-yl)pyrimidine-5-carboxylate
CID 22831820
ethyl 4-amino-2-(2-methoxybutan-2-yl)pyrimidine-5-carboxylate
CID 116782890
ethyl 4-amino-2-(2-methoxypropan-2-yl)pyrimidine-5-carboxylate
CID 116646797
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-(aminomethyl)-4-(difluoromethyl)pyrimidine-5-carboxylate
CID 138991320
ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102972984
ethyl 2-(2-ethoxybutan-2-yl)-4-methylpyrimidine-5-carboxylate
CID 102972538
ethyl 2-propan-2-yl-6-(1,3-thiazol-2-yl)pyridine-3-carboxylate
CID 116533369
ethyl 4-amino-2-(1-ethoxy-1-oxopropan-2-yl)sulfanylpyrimidine-5-carboxylate
CID 78987540
ethyl 4-chloro-2-(1,1-difluoroethyl)pyrimidine-5-carboxylate
CID 172639270
ethyl 2-(1-methoxy-2-methylpropyl)-4-methylpyrimidine-5-carboxylate
CID 102972388

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate (CID 102972953) is ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C(CC)(CC)OC)nc1C(C)C.
What is the InChIKey of ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is OCJGFIBMGYJPOL-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H26N2O3/c1-7-16(8-2,20-6)15-17-10-12(14(19)21-9-3)13(18-15)11(4)5/h10-11H,7-9H2,1-6H3.
What are the key properties of ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 294.40 g/mol, XLogP of 3.44, 7 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972953), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).