2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid

C13H20N2O4 — CID 62084512

IUPAC2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid
SMILESCC(C)OCCOc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-8(2)12-14-7-10(11(15-12)13(16)17)19-6-5-18-9(3)4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyBCWRUOIHPRJEOJ-UHFFFAOYSA-N
MW268.31 g/mol
LogP2.10
Rot. Bonds7

About 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid

2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid (PubChem CID 62084512) has the molecular formula C13H20N2O4 and a molecular weight of 268.31 g/mol. Its IUPAC name is 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid
PubChem CID62084512
Molecular FormulaC13H20N2O4
Molecular Weight268.31 g/mol
Exact Mass268.14
IUPAC Name2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid
SMILESCC(C)OCCOc1cnc(C(C)C)nc1C(=O)O
InChIInChI=1S/C13H20N2O4/c1-8(2)12-14-7-10(11(15-12)13(16)17)19-6-5-18-9(3)4/h7-9H,5-6H2,1-4H3,(H,16,17)
InChIKeyBCWRUOIHPRJEOJ-UHFFFAOYSA-N
XLogP2.10
TPSA81.54 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500268.31
LogP ≤ 52.10
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Aliphatic_long_chain', 'substructure': 'N/A'}

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Related Compounds

5-Methoxy-2-methyl-4-pyrimidinecarboxylic acid
CID 10909945
5-Methoxypyrimidine-4-carboxylic acid
CID 82651721
2-Chloro-5-methoxypyrimidine-4-carboxylic acid
CID 130290275
5-(Cyclopropylmethoxy)-2-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 62084523
4-Pyrimidinecarboxylic acid, 5-(cyclohexyloxy)-2-(1-methylethyl)-
CID 62085600
5-Cyclobutoxy-2-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 62116822
2-(Dimethylamino)-5-methoxypyrimidine-4-carboxylic acid
CID 84071002
5-[(1-methyl-1H-pyrazol-4-yl)oxy]-2-(propan-2-yl)pyrimidine-4-carboxylic acid
CID 113564524
Methyl 5-methoxy-2-methylpyrimidine-4-carboxylate
CID 14037868
2-Propan-2-yl-5-(2,2,2-trifluoroethoxy)pyrimidine-4-carboxylic acid
CID 62085762
2-Propan-2-yl-5-(1,1,1-trifluoropropan-2-yloxy)pyrimidine-4-carboxylic acid
CID 66277590
5-(2,2-Difluoroethoxy)-2-propan-2-ylpyrimidine-4-carboxylic acid
CID 82004733

Frequently Asked Questions

What is the IUPAC name of 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid?
The IUPAC name of 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid (CID 62084512) is 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid is CC(C)OCCOc1cnc(C(C)C)nc1C(=O)O.
What is the InChIKey of 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid?
The InChIKey is BCWRUOIHPRJEOJ-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N2O4/c1-8(2)12-14-7-10(11(15-12)13(16)17)19-6-5-18-9(3)4/h7-9H,5-6H2,1-4H3,(H,16,17).
What are the key properties of 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid?
2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid has a molecular weight of 268.31 g/mol, XLogP of 2.10, 7 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-propan-2-yl-5-(2-propan-2-yloxyethoxy)pyrimidine-4-carboxylic acid is sourced from PubChem (CID 62084512), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).