2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid

C11H17N3O3 — CID 43619335

IUPAC2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-6-11(2,9(15)16)14-10-12-7-5-8(13-10)17-3/h5,7H,4,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyOZTPGRPVCUJOIX-UHFFFAOYSA-N
MW239.27 g/mol
LogP1.54
Rot. Bonds6

About 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid

2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid (PubChem CID 43619335) has the molecular formula C11H17N3O3 and a molecular weight of 239.27 g/mol. Its IUPAC name is 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid.

Molecular Properties

Compound Name2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
PubChem CID43619335
Molecular FormulaC11H17N3O3
Molecular Weight239.27 g/mol
Exact Mass239.13
IUPAC Name2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid
SMILESCCCC(C)(Nc1nccc(OC)n1)C(=O)O
InChIInChI=1S/C11H17N3O3/c1-4-6-11(2,9(15)16)14-10-12-7-5-8(13-10)17-3/h5,7H,4,6H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyOZTPGRPVCUJOIX-UHFFFAOYSA-N
XLogP1.54
TPSA84.34 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500239.27
LogP ≤ 51.54
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

N-ethyl-4-methoxypyrimidin-2-amine
CID 20510275
2-[(6-methoxy-3-pyridinyl)amino]-2-methylpentanoic acid
CID 114990583
methyl 2-[(4,6-dimethoxypyrimidin-2-yl)amino]-2-methylpentanoate
CID 115355512
2-[(7-methoxyisoquinolin-1-yl)amino]-2-methylpentanoic acid
CID 106535969
ethyl 2-[(4-methoxypyrimidin-2-yl)amino]acetate
CID 55207180
2-[(4-chloro-6-methoxy-1,3,5-triazin-2-yl)amino]-2-methylpentanoic acid
CID 62857641
4-[(4-methoxypyrimidin-2-yl)amino]benzoic acid
CID 43378936
2-methyl-2-[[2-oxo-2-(pyrimidin-2-ylamino)ethyl]amino]pentanoic acid
CID 43619378
4-methoxy-N-(2-methoxy-2-methylpropyl)pyrimidin-2-amine
CID 115658463
N-(2,2-difluoropropyl)-4-methoxypyrimidin-2-amine
CID 131107592
2-[(4-methoxyphenyl)methylamino]-2-methylpentanoic acid
CID 43619594
N-(2-ethoxy-2-methylpropyl)-4-methoxypyrimidin-2-amine
CID 114942889

Frequently Asked Questions

What is the IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid?
The IUPAC name of 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid (CID 43619335) is 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid.
What is the SMILES notation for 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid?
The canonical SMILES for 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid is CCCC(C)(Nc1nccc(OC)n1)C(=O)O.
What is the InChIKey of 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid?
The InChIKey is OZTPGRPVCUJOIX-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O3/c1-4-6-11(2,9(15)16)14-10-12-7-5-8(13-10)17-3/h5,7H,4,6H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid?
2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid has a molecular weight of 239.27 g/mol, XLogP of 1.54, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[(4-methoxypyrimidin-2-yl)amino]-2-methylpentanoic acid is sourced from PubChem (CID 43619335), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).