2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid

C11H17N3O2 — CID 61226078

IUPAC2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(C)ncn1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-5-11(3,10(15)16)14-9-6-8(2)12-7-13-9/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyKRHIXAYSQVHROY-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.84
Rot. Bonds5

About 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid

2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid (PubChem CID 61226078) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
PubChem CID61226078
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
SMILESCCCC(C)(Nc1cc(C)ncn1)C(=O)O
InChIInChI=1S/C11H17N3O2/c1-4-5-11(3,10(15)16)14-9-6-8(2)12-7-13-9/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14)
InChIKeyKRHIXAYSQVHROY-UHFFFAOYSA-N
XLogP1.84
TPSA75.11 Ų
H-Bond Donors2
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.84
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid?
The IUPAC name of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid (CID 61226078) is 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid.
What is the SMILES notation for 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid?
The canonical SMILES for 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid is CCCC(C)(Nc1cc(C)ncn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid?
The InChIKey is KRHIXAYSQVHROY-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-5-11(3,10(15)16)14-9-6-8(2)12-7-13-9/h6-7H,4-5H2,1-3H3,(H,15,16)(H,12,13,14).
What are the key properties of 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid?
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.84, 5 rotatable bonds, 2 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid is sourced from PubChem (CID 61226078), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).