4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid

C12H17N3O2 — CID 102974183

IUPAC4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCC(C1CC1)N(C)Cc1ncncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(9-3-4-9)15(2)6-11-10(12(16)17)5-13-7-14-11/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyHECOENIFKCLXDP-UHFFFAOYSA-N
MW235.29 g/mol
LogP1.41
Rot. Bonds5

About 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid

4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid (PubChem CID 102974183) has the molecular formula C12H17N3O2 and a molecular weight of 235.29 g/mol. Its IUPAC name is 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid.

Molecular Properties

Compound Name4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid
PubChem CID102974183
Molecular FormulaC12H17N3O2
Molecular Weight235.29 g/mol
Exact Mass235.13
IUPAC Name4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid
SMILESCC(C1CC1)N(C)Cc1ncncc1C(=O)O
InChIInChI=1S/C12H17N3O2/c1-8(9-3-4-9)15(2)6-11-10(12(16)17)5-13-7-14-11/h5,7-9H,3-4,6H2,1-2H3,(H,16,17)
InChIKeyHECOENIFKCLXDP-UHFFFAOYSA-N
XLogP1.41
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500235.29
LogP ≤ 51.41
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

4-[[methyl(pentan-2-yl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974186
4-[[1-cyanopropan-2-yl(methyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974377
4-[[methyl(oxan-4-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974391
4-[[(1,1-dioxothiolan-3-yl)-methylamino]methyl]pyrimidine-5-carboxylic acid
CID 102974194
4-(cyclopropylmethoxymethyl)pyrimidine-5-carboxylic acid
CID 102973559
2-[[1-cyclopropylethyl(methyl)amino]methyl]furan-3-carboxylic acid
CID 43569345
4-[[2-cyanoethyl(cyclopropyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974291
4-(methoxymethyl)pyrimidine-5-carboxylic acid
CID 90787660
4-[[propan-2-yl(thiophen-2-ylmethyl)amino]methyl]pyrimidine-5-carboxylic acid
CID 102974264
4-(propoxymethyl)pyrimidine-5-carboxylic acid
CID 102973610
N-[(2-chloro-1,3-thiazol-5-yl)methyl]-1-cyclopropyl-N-methylethanamine
CID 79765083
4-[(4-tert-butylpiperidin-1-yl)methyl]pyrimidine-5-carboxylic acid
CID 102974335

Frequently Asked Questions

What is the IUPAC name of 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid?
The IUPAC name of 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid (CID 102974183) is 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid.
What is the SMILES notation for 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid?
The canonical SMILES for 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid is CC(C1CC1)N(C)Cc1ncncc1C(=O)O.
What is the InChIKey of 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid?
The InChIKey is HECOENIFKCLXDP-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H17N3O2/c1-8(9-3-4-9)15(2)6-11-10(12(16)17)5-13-7-14-11/h5,7-9H,3-4,6H2,1-2H3,(H,16,17).
What are the key properties of 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid?
4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid has a molecular weight of 235.29 g/mol, XLogP of 1.41, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 4-[[1-cyclopropylethyl(methyl)amino]methyl]pyrimidine-5-carboxylic acid is sourced from PubChem (CID 102974183), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).