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

C10H15N3O2 — CID 62818579

IUPAC2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid
SMILESCc1cc(N(C)C(C)(C)C(=O)O)ncn1
InChIInChI=1S/C10H15N3O2/c1-7-5-8(12-6-11-7)13(4)10(2,3)9(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyDQECANXCOIWOEG-UHFFFAOYSA-N
MW209.25 g/mol
LogP1.08
Rot. Bonds3

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

2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid (PubChem CID 62818579) has the molecular formula C10H15N3O2 and a molecular weight of 209.25 g/mol. Its IUPAC name is 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid
PubChem CID62818579
Molecular FormulaC10H15N3O2
Molecular Weight209.25 g/mol
Exact Mass209.12
IUPAC Name2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid
SMILESCc1cc(N(C)C(C)(C)C(=O)O)ncn1
InChIInChI=1S/C10H15N3O2/c1-7-5-8(12-6-11-7)13(4)10(2,3)9(14)15/h5-6H,1-4H3,(H,14,15)
InChIKeyDQECANXCOIWOEG-UHFFFAOYSA-N
XLogP1.08
TPSA66.32 Ų
H-Bond Donors1
H-Bond Acceptors4
Rotatable Bonds3
Heavy Atoms15
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500209.25
LogP ≤ 51.08
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 104

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Related Compounds

2-methyl-2-[methyl-[4-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 66329231
ethyl 3-[methyl-(6-methylpyrimidin-4-yl)amino]propanoate
CID 55209509
1-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]-methylamino]propan-2-one
CID 115266282
2-methyl-2-[methyl(1,3-thiazol-2-yl)amino]propanoic acid
CID 62818927
2-methyl-2-(N,2,4-trimethylanilino)propanoic acid
CID 114988793
2-[cyclopropyl-(2-methyl-4-pyridinyl)amino]-2-methylpropanoic acid
CID 83841546
2-methyl-2-[methyl-(5-methyl-3-nitro-2-pyridinyl)amino]propanoic acid
CID 66278047
1-[benzyl-(6-methylpyrimidin-4-yl)amino]-2-methylpropan-2-ol
CID 75515994
N,6-dimethyl-N-(3-methylphenyl)pyrimidin-4-amine
CID 143158755
4,6-dimethylpyrimidine;4-sulfanylbenzoic acid
CID 70395158
1-[4-[amino-(6-methylpyrimidin-4-yl)amino]phenyl]ethanone
CID 174524356
2-methyl-2-[(6-methylpyrimidin-4-yl)amino]pentanoic acid
CID 61226078

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid (CID 62818579) is 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid is Cc1cc(N(C)C(C)(C)C(=O)O)ncn1.
What is the InChIKey of 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid?
The InChIKey is DQECANXCOIWOEG-UHFFFAOYSA-N. The full InChI is InChI=1S/C10H15N3O2/c1-7-5-8(12-6-11-7)13(4)10(2,3)9(14)15/h5-6H,1-4H3,(H,14,15).
What are the key properties of 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid?
2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid has a molecular weight of 209.25 g/mol, XLogP of 1.08, 3 rotatable bonds, 1 hydrogen bond donors, and 4 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[methyl-(6-methylpyrimidin-4-yl)amino]propanoic acid is sourced from PubChem (CID 62818579), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).