3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid

C13H22N4O2 — CID 115266549

IUPAC3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid
SMILESCc1nc(NC(C)CC(=O)O)cc(N(C)C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)17(5)12-7-11(15-10(4)16-12)14-9(3)6-13(18)19/h7-9H,6H2,1-5H3,(H,18,19)(H,14,15,16)
InChIKeyGPQISSAIUQPMPM-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.90
Rot. Bonds6

About 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid

3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid (PubChem CID 115266549) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid.

Molecular Properties

Compound Name3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid
PubChem CID115266549
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Name3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid
SMILESCc1nc(NC(C)CC(=O)O)cc(N(C)C(C)C)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)17(5)12-7-11(15-10(4)16-12)14-9(3)6-13(18)19/h7-9H,6H2,1-5H3,(H,18,19)(H,14,15,16)
InChIKeyGPQISSAIUQPMPM-UHFFFAOYSA-N
XLogP1.90
TPSA78.35 Ų
H-Bond Donors2
H-Bond Acceptors5
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.90
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 105

Analyze 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic 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

3-[(5,6-dimethylpyrazin-2-yl)amino]butanoic acid
CID 114474267
6-N-(3-amino-2-methylpropyl)-4-N,2-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115266433
3-[(4-carbamoyl-6-methyl-2-pyridinyl)amino]butanoic acid
CID 114765268
4-N,2-dimethyl-6-N-[2-methyl-2-(methylamino)propyl]-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 115266600
4-N,6-N,2-trimethyl-4-N-pentan-2-ylpyrimidine-4,6-diamine
CID 80793867
3-[(2,6-dimethylpyrimidin-4-yl)-ethylamino]butanoic acid
CID 62826912
3-[(1-ethylimidazol-2-yl)amino]butanoic acid
CID 62138209
4-N-[1-(dimethylamino)propan-2-yl]-6-N,2-dimethylpyrimidine-4,6-diamine
CID 82949807
2-[[2-methyl-6-(methylamino)pyrimidin-4-yl]amino]propan-1-ol
CID 80780227
4-N-butyl-4-N,2-dimethyl-6-N-(1-phenylethyl)pyrimidine-4,6-diamine
CID 112872081
6-hydrazinyl-N-(1-methoxypropan-2-yl)-N,2-dimethylpyrimidin-4-amine
CID 80895894
2-[(6-ethoxy-2-methylpyrimidin-4-yl)-methylamino]propanoic acid
CID 66332093

Frequently Asked Questions

What is the IUPAC name of 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid?
The IUPAC name of 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid (CID 115266549) is 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid.
What is the SMILES notation for 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid?
The canonical SMILES for 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid is Cc1nc(NC(C)CC(=O)O)cc(N(C)C(C)C)n1.
What is the InChIKey of 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid?
The InChIKey is GPQISSAIUQPMPM-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)17(5)12-7-11(15-10(4)16-12)14-9(3)6-13(18)19/h7-9H,6H2,1-5H3,(H,18,19)(H,14,15,16).
What are the key properties of 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid?
3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid has a molecular weight of 266.34 g/mol, XLogP of 1.90, 6 rotatable bonds, 2 hydrogen bond donors, and 5 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[2-methyl-6-[methyl(propan-2-yl)amino]pyrimidin-4-yl]amino]butanoic acid is sourced from PubChem (CID 115266549), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).