2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid

C12H19N3O3 — CID 83182043

IUPAC2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(c1ncc(C(=O)O)c(C)n1)C(C)COC
InChIInChI=1S/C12H19N3O3/c1-5-15(8(2)7-18-4)12-13-6-10(11(16)17)9(3)14-12/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyBGYOYBYHSCVODF-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.34
Rot. Bonds6

About 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid

2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid (PubChem CID 83182043) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
PubChem CID83182043
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid
SMILESCCN(c1ncc(C(=O)O)c(C)n1)C(C)COC
InChIInChI=1S/C12H19N3O3/c1-5-15(8(2)7-18-4)12-13-6-10(11(16)17)9(3)14-12/h6,8H,5,7H2,1-4H3,(H,16,17)
InChIKeyBGYOYBYHSCVODF-UHFFFAOYSA-N
XLogP1.34
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.34
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-Methyl-2-(methylsulfanyl)pyrimidine-5-carboxylic acid
CID 3613356
Methyl 2-morpholin-4-yl-4-(trifluoromethyl)pyrimidine-5-carboxylate
CID 2808130
2-Amino-4-methylpyrimidine-5-carboxylic acid
CID 3156772
Ethyl 2-chloro-4-methylpyrimidine-5-carboxylate
CID 21220624
4-Methyl-5-pyrimidinecarboxylic acid
CID 14922219
2-(Butylamino)-4-methylpyrimidine-5-carboxylic acid
CID 66490403
Ethyl 2,4-dimethylpyrimidine-5-carboxylate
CID 295888
2-Amino-4-(trifluoromethyl)pyrimidine-5-carboxylic acid
CID 3754696
2-Cyclopropyl-4-methylpyrimidine-5-carboxylic acid
CID 22308493
2,4-Dimethylpyrimidine-5-carboxylic acid
CID 6487595
5-Pyrimidinecarboxylic acid, 2-amino-4-methyl-, ethyl ester
CID 459813
2-(Dimethylamino)-4-methylpyrimidine-5-carboxylic acid
CID 826981

Frequently Asked Questions

What is the IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The IUPAC name of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid (CID 83182043) is 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid.
What is the SMILES notation for 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The canonical SMILES for 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid is CCN(c1ncc(C(=O)O)c(C)n1)C(C)COC.
What is the InChIKey of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
The InChIKey is BGYOYBYHSCVODF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-5-15(8(2)7-18-4)12-13-6-10(11(16)17)9(3)14-12/h6,8H,5,7H2,1-4H3,(H,16,17).
What are the key properties of 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid?
2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid has a molecular weight of 253.30 g/mol, XLogP of 1.34, 6 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[ethyl(1-methoxypropan-2-yl)amino]-4-methylpyrimidine-5-carboxylic acid is sourced from PubChem (CID 83182043), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).