4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid

C13H19N3O3 — CID 66332415

IUPAC4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1cc(N2CC(C)C(C(=O)O)C2)ncn1
InChIInChI=1S/C13H19N3O3/c1-8(2)19-12-4-11(14-7-15-12)16-5-9(3)10(6-16)13(17)18/h4,7-10H,5-6H2,1-3H3,(H,17,18)
InChIKeyNHWIRMPMWPJANM-UHFFFAOYSA-N
MW265.31 g/mol
LogP1.42
Rot. Bonds4

About 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid

4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid (PubChem CID 66332415) has the molecular formula C13H19N3O3 and a molecular weight of 265.31 g/mol. Its IUPAC name is 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid.

Molecular Properties

Compound Name4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
PubChem CID66332415
Molecular FormulaC13H19N3O3
Molecular Weight265.31 g/mol
Exact Mass265.14
IUPAC Name4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid
SMILESCC(C)Oc1cc(N2CC(C)C(C(=O)O)C2)ncn1
InChIInChI=1S/C13H19N3O3/c1-8(2)19-12-4-11(14-7-15-12)16-5-9(3)10(6-16)13(17)18/h4,7-10H,5-6H2,1-3H3,(H,17,18)
InChIKeyNHWIRMPMWPJANM-UHFFFAOYSA-N
XLogP1.42
TPSA75.55 Ų
H-Bond Donors1
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500265.31
LogP ≤ 51.42
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 105

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Related Compounds

1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-amine
CID 66331612
4-(3-methylpiperazin-1-yl)-6-propan-2-yloxypyrimidine
CID 66331198
ethyl 1-(6-propan-2-yloxypyrimidin-4-yl)piperidine-3-carboxylate
CID 66332836
tert-butyl 4-(6-propan-2-yloxypyrimidin-4-yl)piperazine-1-carboxylate
CID 66748395
2-[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)azetidin-3-yl]oxyacetic acid
CID 102658023
N-methyl-1-[1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-3-yl]methanamine
CID 66332224
[3-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidin-2-yl]methanamine
CID 102784013
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]ethanamine
CID 66333648
N-[[1-(6-propan-2-yloxypyrimidin-4-yl)piperidin-4-yl]methyl]propan-1-amine
CID 66333649
4-methyl-1-(5-methyl-2-pyridinyl)pyrrolidine-3-carboxylic acid
CID 66280580
(3S,4S)-4-methyl-1-(6-oxo-2-propan-2-yl-1H-pyrimidin-4-yl)pyrrolidine-3-carboxylic acid
CID 136954404
1-[(2R)-4-[6-(2-methoxyphenoxy)pyrimidin-4-yl]-2-methylpiperazin-1-yl]-2-methylpropan-1-one
CID 93340843

Frequently Asked Questions

What is the IUPAC name of 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The IUPAC name of 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid (CID 66332415) is 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid.
What is the SMILES notation for 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The canonical SMILES for 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid is CC(C)Oc1cc(N2CC(C)C(C(=O)O)C2)ncn1.
What is the InChIKey of 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
The InChIKey is NHWIRMPMWPJANM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H19N3O3/c1-8(2)19-12-4-11(14-7-15-12)16-5-9(3)10(6-16)13(17)18/h4,7-10H,5-6H2,1-3H3,(H,17,18).
What are the key properties of 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid?
4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid has a molecular weight of 265.31 g/mol, XLogP of 1.42, 4 rotatable bonds, 1 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 4-methyl-1-(6-propan-2-yloxypyrimidin-4-yl)pyrrolidine-3-carboxylic acid is sourced from PubChem (CID 66332415), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).