2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid

C11H17N3O2 — CID 62637012

IUPAC2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc(N(C)C(C)C(=O)O)ncn1
InChIInChI=1S/C11H17N3O2/c1-7(2)9-5-10(13-6-12-9)14(4)8(3)11(15)16/h5-8H,1-4H3,(H,15,16)
InChIKeyBGPFVYZKFSDWQG-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.51
Rot. Bonds4

About 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid

2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 62637012) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
PubChem CID62637012
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid
SMILESCC(C)c1cc(N(C)C(C)C(=O)O)ncn1
InChIInChI=1S/C11H17N3O2/c1-7(2)9-5-10(13-6-12-9)14(4)8(3)11(15)16/h5-8H,1-4H3,(H,15,16)
InChIKeyBGPFVYZKFSDWQG-UHFFFAOYSA-N
XLogP1.51
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds4
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.51
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Frequently Asked Questions

What is the IUPAC name of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid (CID 62637012) is 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid is CC(C)c1cc(N(C)C(C)C(=O)O)ncn1.
What is the InChIKey of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is BGPFVYZKFSDWQG-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-7(2)9-5-10(13-6-12-9)14(4)8(3)11(15)16/h5-8H,1-4H3,(H,15,16).
What are the key properties of 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid?
2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.51, 4 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-[methyl-(6-propan-2-ylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 62637012), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).