3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid

C13H21N3O3 — CID 112636210

IUPAC3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
SMILESCCC(CNc1nccc(OC(C)C)n1)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-4-10(7-12(17)18)8-15-13-14-6-5-11(16-13)19-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyZDVPWLMSGCWHLP-UHFFFAOYSA-N
MW267.33 g/mol
LogP2.18
Rot. Bonds8

About 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid

3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid (PubChem CID 112636210) has the molecular formula C13H21N3O3 and a molecular weight of 267.33 g/mol. Its IUPAC name is 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid.

Molecular Properties

Compound Name3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
PubChem CID112636210
Molecular FormulaC13H21N3O3
Molecular Weight267.33 g/mol
Exact Mass267.16
IUPAC Name3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid
SMILESCCC(CNc1nccc(OC(C)C)n1)CC(=O)O
InChIInChI=1S/C13H21N3O3/c1-4-10(7-12(17)18)8-15-13-14-6-5-11(16-13)19-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,18)(H,14,15,16)
InChIKeyZDVPWLMSGCWHLP-UHFFFAOYSA-N
XLogP2.18
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds8
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500267.33
LogP ≤ 52.18
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

2-methyl-3-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636067
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112636247
6-[(4-propan-2-yloxypyrimidin-2-yl)amino]hexanoic acid
CID 112635945
N-ethyl-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636787
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
N-(2,2-dicyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112638038
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
CID 112635985
2-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]cyclopentane-1-carboxylic acid
CID 115974164
N-(2-chloro-2-cyclopropylethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639309
N-(2-chloro-4,4-dimethylpentyl)-4-propan-2-yloxypyrimidin-2-amine
CID 107156071
4-propan-2-yloxy-N-prop-2-enylpyrimidin-2-amine
CID 112637442
N-(2-methoxyethyl)-4-propan-2-yloxypyrimidin-2-amine
CID 112636373

Frequently Asked Questions

What is the IUPAC name of 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
The IUPAC name of 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid (CID 112636210) is 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid.
What is the SMILES notation for 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
The canonical SMILES for 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid is CCC(CNc1nccc(OC(C)C)n1)CC(=O)O.
What is the InChIKey of 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
The InChIKey is ZDVPWLMSGCWHLP-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H21N3O3/c1-4-10(7-12(17)18)8-15-13-14-6-5-11(16-13)19-9(2)3/h5-6,9-10H,4,7-8H2,1-3H3,(H,17,18)(H,14,15,16).
What are the key properties of 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid?
3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid has a molecular weight of 267.33 g/mol, XLogP of 2.18, 8 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(4-propan-2-yloxypyrimidin-2-yl)amino]methyl]pentanoic acid is sourced from PubChem (CID 112636210), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).