4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid

C13H19N3O3 — CID 102974391

IUPAC4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCN(Cc1ncncc1C(=O)O)CC1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-16(7-10-2-4-19-5-3-10)8-12-11(13(17)18)6-14-9-15-12/h6,9-10H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyBBQHEQIUPSOLBY-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.03
Rot. Bonds5

About 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid

4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 102974391) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
PubChem CID102974391
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCN(Cc1ncncc1C(=O)O)CC1CCOCC1
InChIInChI=1S/C13H19N3O3/c1-16(7-10-2-4-19-5-3-10)8-12-11(13(17)18)6-14-9-15-12/h6,9-10H,2-5,7-8H2,1H3,(H,17,18)
InChIKeyBBQHEQIUPSOLBY-UHFFFAOYSA-N
XLogP1.03
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.03
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974183
2-fluoro-3-[[methyl(oxan-4-ylmethyl)amino]methyl]benzoic acid
CID 107119509
4-[cyclopentylmethyl(methyl)amino]pyrimidine-5-carboxylic acid
CID 115148973
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]pyrimidine-5-carboxylic acid
CID 102974194
4-[[methyl(oxan-4-ylmethyl)amino]methyl]-1,3-thiazole-2-carboxylic acid
CID 63711703
4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 102973559
N-[(3,5-dichloro-4-pyridinyl)methyl]-N-methyl-1-(oxan-4-yl)methanamine
CID 77096940
4-[[methyl(pentan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974186
4-[[2-cyanoethyl(cyclopropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974291
5-methyl-2-[methyl(oxan-4-ylmethyl)amino]benzoic acid
CID 55227035
5-[[cyclohexylmethyl(methyl)amino]methyl]-1,2-oxazole-4-carboxylic acid
CID 112753457
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660

Frequently Asked Questions

What is the IUPAC name of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid (CID 102974391) is 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid is CN(Cc1ncncc1C(=O)O)CC1CCOCC1.
What is the InChIKey of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is BBQHEQIUPSOLBY-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-16(7-10-2-4-19-5-3-10)8-12-11(13(17)18)6-14-9-15-12/h6,9-10H,2-5,7-8H2,1H3,(H,17,18).
What are the key properties of 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid?
4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.03, 5 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102974391), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).