2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid

C13H20N4O2 — CID 107553892

IUPAC2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
SMILESCC(CNc1nccc(C(=O)O)n1)CN1CCCC1
InChIInChI=1S/C13H20N4O2/c1-10(9-17-6-2-3-7-17)8-15-13-14-5-4-11(16-13)12(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)(H,14,15,16)
InChIKeySDLVAYKXBMBQLB-UHFFFAOYSA-N
MW264.33 g/mol
LogP1.32
Rot. Bonds6

About 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid

2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid (PubChem CID 107553892) has the molecular formula C13H20N4O2 and a molecular weight of 264.33 g/mol. Its IUPAC name is 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid.

Molecular Properties

Compound Name2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
PubChem CID107553892
Molecular FormulaC13H20N4O2
Molecular Weight264.33 g/mol
Exact Mass264.16
IUPAC Name2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid
SMILESCC(CNc1nccc(C(=O)O)n1)CN1CCCC1
InChIInChI=1S/C13H20N4O2/c1-10(9-17-6-2-3-7-17)8-15-13-14-5-4-11(16-13)12(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)(H,14,15,16)
InChIKeySDLVAYKXBMBQLB-UHFFFAOYSA-N
XLogP1.32
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500264.33
LogP ≤ 51.32
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-(2-methylpropylamino)pyrimidine-4-carboxylic acid
CID 103689466
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carbonitrile
CID 107544433
4-ethoxy-N-(2-methyl-3-pyrrolidin-1-ylpropyl)pyrimidin-2-amine
CID 112637597
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-4-propoxypyrimidin-2-amine
CID 115975017
2-(2-methylsulfinylpropylamino)pyrimidine-4-carboxylic acid
CID 107554398
2-(propan-2-ylamino)pyrimidine-4-carboxylic acid
CID 107553189
N,N-dimethyl-4-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyridine-2-carboxamide
CID 62992312
methyl 4-[(2-methyl-3-piperidin-1-ylpropyl)amino]pyrimidine-2-carboxylate
CID 66286242
N-(2-methyl-3-pyrrolidin-1-ylpropyl)-2-propan-2-ylpyrimidin-4-amine
CID 133297711
2-[(4-propan-2-ylphenyl)methylamino]pyrimidine-4-carboxylic acid
CID 107553513
2-(5-methylhexylamino)pyrimidine-4-carboxylic acid
CID 107554244
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]-1,3-thiazole-5-carboxylic acid
CID 80571368

Frequently Asked Questions

What is the IUPAC name of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid?
The IUPAC name of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid (CID 107553892) is 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid.
What is the SMILES notation for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid?
The canonical SMILES for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid is CC(CNc1nccc(C(=O)O)n1)CN1CCCC1.
What is the InChIKey of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid?
The InChIKey is SDLVAYKXBMBQLB-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H20N4O2/c1-10(9-17-6-2-3-7-17)8-15-13-14-5-4-11(16-13)12(18)19/h4-5,10H,2-3,6-9H2,1H3,(H,18,19)(H,14,15,16).
What are the key properties of 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid?
2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid has a molecular weight of 264.33 g/mol, XLogP of 1.32, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(2-methyl-3-pyrrolidin-1-ylpropyl)amino]pyrimidine-4-carboxylic acid is sourced from PubChem (CID 107553892), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).