ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate

C16H24N2O3 — CID 102972984

IUPACethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(C)CCCCO2)nc1C(C)C
InChIInChI=1S/C16H24N2O3/c1-5-20-14(19)12-10-17-15(18-13(12)11(2)3)16(4)8-6-7-9-21-16/h10-11H,5-9H2,1-4H3
InChIKeyZEIHZSPMZPOMJV-UHFFFAOYSA-N
MW292.38 g/mol
LogP3.19
Rot. Bonds4

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

ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate (PubChem CID 102972984) has the molecular formula C16H24N2O3 and a molecular weight of 292.38 g/mol. Its IUPAC name is ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate.

Molecular Properties

Compound Nameethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate
PubChem CID102972984
Molecular FormulaC16H24N2O3
Molecular Weight292.38 g/mol
Exact Mass292.18
IUPAC Nameethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate
SMILESCCOC(=O)c1cnc(C2(C)CCCCO2)nc1C(C)C
InChIInChI=1S/C16H24N2O3/c1-5-20-14(19)12-10-17-15(18-13(12)11(2)3)16(4)8-6-7-9-21-16/h10-11H,5-9H2,1-4H3
InChIKeyZEIHZSPMZPOMJV-UHFFFAOYSA-N
XLogP3.19
TPSA61.31 Ų
H-Bond Donors
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500292.38
LogP ≤ 53.19
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-(1-ethoxycyclohexyl)pyrimidine-5-carboxylate
CID 116782888
N-methyl-1-[5-methyl-2-(2-methyloxan-2-yl)pyrimidin-4-yl]methanamine
CID 114245206
ethyl 4-amino-2-(4-ethoxyoxan-4-yl)pyrimidine-5-carboxylate
CID 116782896
4-cyclopropyl-2-(2-methyloxan-2-yl)pyrimidine-5-carboxylic acid
CID 80681633
2-(2-methyloxan-2-yl)-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 80681331
N-methyl-1-[4-methyl-2-(2-methyloxan-2-yl)pyrimidin-5-yl]ethanamine
CID 80681424
2-ethoxy-N-[[2-(2-methyloxan-2-yl)pyrimidin-5-yl]methyl]pyridine-3-carboxamide
CID 110117869
ethyl 2-(3-methoxypentan-3-yl)-4-propan-2-ylpyrimidine-5-carboxylate
CID 102972953
ethyl 3-(2-methyloxetan-2-yl)pyridine-4-carboxylate
CID 102503713
2-(2-methyloxan-2-yl)pyrimidine-4-carboxylic acid
CID 80681647
2-(1-ethoxycyclopentyl)-4-propan-2-ylpyrimidin-5-amine
CID 114207193

Frequently Asked Questions

What is the IUPAC name of ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
The IUPAC name of ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate (CID 102972984) is ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate.
What is the SMILES notation for ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
The canonical SMILES for ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate is CCOC(=O)c1cnc(C2(C)CCCCO2)nc1C(C)C.
What is the InChIKey of ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
The InChIKey is ZEIHZSPMZPOMJV-UHFFFAOYSA-N. The full InChI is InChI=1S/C16H24N2O3/c1-5-20-14(19)12-10-17-15(18-13(12)11(2)3)16(4)8-6-7-9-21-16/h10-11H,5-9H2,1-4H3.
What are the key properties of ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate?
ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate has a molecular weight of 292.38 g/mol, XLogP of 3.19, 4 rotatable bonds, 0 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for ethyl 2-(2-methyloxan-2-yl)-4-propan-2-ylpyrimidine-5-carboxylate is sourced from PubChem (CID 102972984), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).