3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid

C11H17N3O2 — CID 63208615

IUPAC3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ncc(C)cn1
InChIInChI=1S/C11H17N3O2/c1-4-14(7-9(3)10(15)16)11-12-5-8(2)6-13-11/h5-6,9H,4,7H2,1-3H3,(H,15,16)
InChIKeyNKUPTOCKGDHALL-UHFFFAOYSA-N
MW223.28 g/mol
LogP1.33
Rot. Bonds5

About 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid

3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid (PubChem CID 63208615) has the molecular formula C11H17N3O2 and a molecular weight of 223.28 g/mol. Its IUPAC name is 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid.

Molecular Properties

Compound Name3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
PubChem CID63208615
Molecular FormulaC11H17N3O2
Molecular Weight223.28 g/mol
Exact Mass223.13
IUPAC Name3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid
SMILESCCN(CC(C)C(=O)O)c1ncc(C)cn1
InChIInChI=1S/C11H17N3O2/c1-4-14(7-9(3)10(15)16)11-12-5-8(2)6-13-11/h5-6,9H,4,7H2,1-3H3,(H,15,16)
InChIKeyNKUPTOCKGDHALL-UHFFFAOYSA-N
XLogP1.33
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds5
Heavy Atoms16
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500223.28
LogP ≤ 51.33
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

3-[ethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 66279259
3-[ethyl-(3-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82318925
3-[carboxymethyl-(5-methyl-2-pyridinyl)amino]-2-methylpropanoic acid
CID 82317128
3-[1,2,4-benzotriazin-3-yl(ethyl)amino]-2-methylpropanoic acid
CID 103203754
3-[ethyl(1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 62854028
2-(diethylamino)pyrimidine-5-carboxylic acid
CID 42281393
3-[ethyl-(5-nitro-1,3-thiazol-2-yl)amino]-2-methylpropanoic acid
CID 102769799
3-[ethyl-(6-methylpyridine-3-carbonyl)amino]-2-methylpropanoic acid
CID 62826642
3-(N-ethyl-4-propan-2-ylanilino)-2-methylpropanoic acid
CID 82318873
3-[(6-chloropyridazin-3-yl)-ethylamino]-2-methylpropanoic acid
CID 62853490
3-(4-tert-butyl-N-ethylanilino)-2-methylpropanoic acid
CID 82318878
3-[[3-chloro-5-(trifluoromethyl)-2-pyridinyl]-ethylamino]-2-methylpropanoic acid
CID 62852767

Frequently Asked Questions

What is the IUPAC name of 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The IUPAC name of 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid (CID 63208615) is 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid.
What is the SMILES notation for 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The canonical SMILES for 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid is CCN(CC(C)C(=O)O)c1ncc(C)cn1.
What is the InChIKey of 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
The InChIKey is NKUPTOCKGDHALL-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H17N3O2/c1-4-14(7-9(3)10(15)16)11-12-5-8(2)6-13-11/h5-6,9H,4,7H2,1-3H3,(H,15,16).
What are the key properties of 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid?
3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid has a molecular weight of 223.28 g/mol, XLogP of 1.33, 5 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[ethyl-(5-methylpyrimidin-2-yl)amino]-2-methylpropanoic acid is sourced from PubChem (CID 63208615), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).