2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid

C12H19N3O3 — CID 83184172

IUPAC2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(CC(C)(C)O)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-15(7-12(3,4)18)11-13-6-9(10(16)17)8(2)14-11/h6,18H,5,7H2,1-4H3,(H,16,17)
InChIKeyHGBZTEAYJFWYJL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.08
Rot. Bonds5

About 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid

2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83184172) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83184172
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(CC(C)(C)O)c1ncc(C(=O)O)c(C)n1
InChIInChI=1S/C12H19N3O3/c1-5-15(7-12(3,4)18)11-13-6-9(10(16)17)8(2)14-11/h6,18H,5,7H2,1-4H3,(H,16,17)
InChIKeyHGBZTEAYJFWYJL-UHFFFAOYSA-N
XLogP1.08
TPSA86.55 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.08
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(dipropylamino)-4-methylpyrimidine-5-carboxylic acid
CID 83181799
2-[3-(diethylamino)propyl-ethylamino]-4-methylpyrimidine-5-carboxylic acid
CID 102994032
2-[bis(2-hydroxyethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181146
2-[ethyl(thiophen-2-ylmethyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182104
2-[ethyl(propan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83181140
1-[ethyl-(4-methylpyrimidin-2-yl)amino]-2-methylpropan-2-ol
CID 78995484
5-[ethyl-(2-hydroxy-2-methylpropyl)amino]pyrazine-2-carboxylic acid
CID 107372485
6-[ethyl-(2-hydroxy-2-methylpropyl)carbamoyl]-2-methylpyridine-3-carboxylic acid
CID 79385788
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 83182043
1-[(4,6-dimethylpyrimidin-2-yl)-ethylamino]-2-methylpropan-2-ol
CID 79390171
2-[hexyl(methyl)amino]-4-methylpyrimidine-5-carboxylic acid
CID 91210438
4-methyl-2-[methyl(3,3,3-trifluoropropyl)amino]pyrimidine-5-carboxylic acid
CID 83181767

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid (CID 83184172) is 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid is CCN(CC(C)(C)O)c1ncc(C(=O)O)c(C)n1.
What is the InChIKey of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is HGBZTEAYJFWYJL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-15(7-12(3,4)18)11-13-6-9(10(16)17)8(2)14-11/h6,18H,5,7H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid?
2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.08, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl-(2-hydroxy-2-methylpropyl)amino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83184172), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).