2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid

C13H14N4O2 — CID 116975203

IUPAC2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid
SMILESCC(C)(Nc1ncc(-c2cccnc2)cn1)C(=O)O
InChIInChI=1S/C13H14N4O2/c1-13(2,11(18)19)17-12-15-7-10(8-16-12)9-4-3-5-14-6-9/h3-8H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyKDPNEVXMFPGKCM-UHFFFAOYSA-N
MW258.28 g/mol
LogP1.81
Rot. Bonds4

About 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid

2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid (PubChem CID 116975203) has the molecular formula C13H14N4O2 and a molecular weight of 258.28 g/mol. Its IUPAC name is 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid
PubChem CID116975203
Molecular FormulaC13H14N4O2
Molecular Weight258.28 g/mol
Exact Mass258.11
IUPAC Name2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid
SMILESCC(C)(Nc1ncc(-c2cccnc2)cn1)C(=O)O
InChIInChI=1S/C13H14N4O2/c1-13(2,11(18)19)17-12-15-7-10(8-16-12)9-4-3-5-14-6-9/h3-8H,1-2H3,(H,18,19)(H,15,16,17)
InChIKeyKDPNEVXMFPGKCM-UHFFFAOYSA-N
XLogP1.81
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds4
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500258.28
LogP ≤ 51.81
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

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Related Compounds

methyl 2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]acetate
CID 116975760
2-[(5-methoxycarbonylpyrimidin-2-yl)amino]-2-methylpropanoic acid
CID 83842915
N-methyl-N'-(5-pyridin-3-ylpyrimidin-2-yl)propane-1,3-diamine
CID 116974460
4-pyridin-3-ylbenzoic acid;hydrochloride
CID 69483183
N-tert-butyl-N-methyl-5-pyridin-3-ylpyridine-2-carboxamide
CID 70935310
3-pyridin-3-ylbenzoic acid
CID 2795575
N-(2-methyl-5-pyridin-3-yl-3-pyridinyl)acetamide
CID 176579518
2-methoxy-5-pyridin-3-ylpyridine-3-carboxylic acid
CID 46317360
methyl 3,5-dipyridin-3-ylpyridine-2-carboxylate
CID 46317548
bis(2-methylpropane);3-pyridin-3-ylpyridine
CID 158581875
N-(3-fluoro-5-pyridin-3-yl-2-pyridinyl)acetamide
CID 144972463
2-methyl-2-[[3-(trifluoromethyl)-2-pyridinyl]amino]propanoic acid
CID 61266117

Frequently Asked Questions

What is the IUPAC name of 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid (CID 116975203) is 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid is CC(C)(Nc1ncc(-c2cccnc2)cn1)C(=O)O.
What is the InChIKey of 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid?
The InChIKey is KDPNEVXMFPGKCM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H14N4O2/c1-13(2,11(18)19)17-12-15-7-10(8-16-12)9-4-3-5-14-6-9/h3-8H,1-2H3,(H,18,19)(H,15,16,17).
What are the key properties of 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid?
2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid has a molecular weight of 258.28 g/mol, XLogP of 1.81, 4 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-2-[(5-pyridin-3-ylpyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 116975203), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).