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

C12H19N3O3 — CID 112635985

IUPAC2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-5-9(11(16)17)14-12-13-7-6-10(15-12)18-8(2)3/h6-9H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyDBUAVMSGWWVNKL-UHFFFAOYSA-N
MW253.30 g/mol
LogP1.93
Rot. Bonds7

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

2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid (PubChem CID 112635985) has the molecular formula C12H19N3O3 and a molecular weight of 253.30 g/mol. Its IUPAC name is 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
PubChem CID112635985
Molecular FormulaC12H19N3O3
Molecular Weight253.30 g/mol
Exact Mass253.14
IUPAC Name2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid
SMILESCCCC(Nc1nccc(OC(C)C)n1)C(=O)O
InChIInChI=1S/C12H19N3O3/c1-4-5-9(11(16)17)14-12-13-7-6-10(15-12)18-8(2)3/h6-9H,4-5H2,1-3H3,(H,16,17)(H,13,14,15)
InChIKeyDBUAVMSGWWVNKL-UHFFFAOYSA-N
XLogP1.93
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds7
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500253.30
LogP ≤ 51.93
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

3-methoxy-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]propanoic acid
CID 112636213
2-[(4-phenoxypyrimidin-2-yl)amino]pentanoic acid
CID 122060540
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
4-methyl-2-[(4-propoxypyrimidin-2-yl)amino]pentanoic acid
CID 112636043
3-[(4-propan-2-yloxypyrimidin-2-yl)amino]butan-1-ol
CID 112638478
2-[[4-[ethyl(methyl)amino]pyrimidin-2-yl]amino]pentanoic acid
CID 135088959
N-ethyl-2-[(4-propan-2-yloxypyrimidin-2-yl)amino]acetamide
CID 112636787
2-[(4-methylpyrimidin-2-yl)amino]hexanoic acid
CID 62959796
4-propan-2-yloxy-N-propylpyrimidin-2-amine
CID 80860726
2-[(2-propan-2-yloxy-3-pyridinyl)amino]pentanoic acid
CID 83041938
N-(1-chloropropan-2-yl)-4-propan-2-yloxypyrimidin-2-amine
CID 112639274

Frequently Asked Questions

What is the IUPAC name of 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The IUPAC name of 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid (CID 112635985) is 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid.
What is the SMILES notation for 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The canonical SMILES for 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid is CCCC(Nc1nccc(OC(C)C)n1)C(=O)O.
What is the InChIKey of 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
The InChIKey is DBUAVMSGWWVNKL-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H19N3O3/c1-4-5-9(11(16)17)14-12-13-7-6-10(15-12)18-8(2)3/h6-9H,4-5H2,1-3H3,(H,16,17)(H,13,14,15).
What are the key properties of 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid?
2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid has a molecular weight of 253.30 g/mol, XLogP of 1.93, 7 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-propan-2-yloxypyrimidin-2-yl)amino]pentanoic acid is sourced from PubChem (CID 112635985), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).