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

C12H12N4O2 — CID 116975157

IUPAC3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
SMILESO=C(O)CCNc1ncc(-c2ccccn2)cn1
InChIInChI=1S/C12H12N4O2/c17-11(18)4-6-14-12-15-7-9(8-16-12)10-3-1-2-5-13-10/h1-3,5,7-8H,4,6H2,(H,17,18)(H,14,15,16)
InChIKeyFWTMLAWVNPCDKF-UHFFFAOYSA-N
MW244.25 g/mol
LogP1.43
Rot. Bonds5

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

3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid (PubChem CID 116975157) has the molecular formula C12H12N4O2 and a molecular weight of 244.25 g/mol. Its IUPAC name is 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid.

Molecular Properties

Compound Name3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
PubChem CID116975157
Molecular FormulaC12H12N4O2
Molecular Weight244.25 g/mol
Exact Mass244.10
IUPAC Name3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid
SMILESO=C(O)CCNc1ncc(-c2ccccn2)cn1
InChIInChI=1S/C12H12N4O2/c17-11(18)4-6-14-12-15-7-9(8-16-12)10-3-1-2-5-13-10/h1-3,5,7-8H,4,6H2,(H,17,18)(H,14,15,16)
InChIKeyFWTMLAWVNPCDKF-UHFFFAOYSA-N
XLogP1.43
TPSA88.00 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds5
Heavy Atoms18
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500244.25
LogP ≤ 51.43
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

N-methyl-N'-(5-pyridin-2-ylpyrimidin-2-yl)ethane-1,2-diamine
CID 116974213
2-phenylpyridine;propan-2-one
CID 174845023
3-[[6-(2-phenylethylamino)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56963655
2-[(5-phenylpyrimidin-2-yl)amino]acetic acid
CID 116975092
2-methyl-2-N-(5-pyridin-2-ylpyrimidin-2-yl)propane-1,2-diamine
CID 116974358
3-[[6-(azepan-1-yl)-2-pyridin-2-ylpyrimidin-4-yl]amino]propanoic acid
CID 56962975
3-(6-pyridin-2-yl-3-pyridinyl)propanoic acid
CID 121355469
4-[[5-(4-bromophenyl)pyrimidin-2-yl]amino]butanoic acid
CID 116975177
formyl chloride;2-phenylpyridine
CID 175066008
2-[(5-phenylpyrimidin-2-yl)amino]ethanol
CID 5157683
5-pyridin-2-yl-N-(pyrrolidin-2-ylmethyl)pyrimidin-2-amine
CID 116974799
N-[2-(pyrimidin-2-ylamino)ethyl]benzamide
CID 31658784

Frequently Asked Questions

What is the IUPAC name of 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid?
The IUPAC name of 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid (CID 116975157) is 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid.
What is the SMILES notation for 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid?
The canonical SMILES for 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid is O=C(O)CCNc1ncc(-c2ccccn2)cn1.
What is the InChIKey of 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid?
The InChIKey is FWTMLAWVNPCDKF-UHFFFAOYSA-N. The full InChI is InChI=1S/C12H12N4O2/c17-11(18)4-6-14-12-15-7-9(8-16-12)10-3-1-2-5-13-10/h1-3,5,7-8H,4,6H2,(H,17,18)(H,14,15,16).
What are the key properties of 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid?
3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid has a molecular weight of 244.25 g/mol, XLogP of 1.43, 5 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[(5-pyridin-2-ylpyrimidin-2-yl)amino]propanoic acid is sourced from PubChem (CID 116975157), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).