methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate

C13H22N4O2 — CID 80811791

IUPACmethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1nc(C)nc(N)c1C
InChIInChI=1S/C13H22N4O2/c1-7(2)6-10(13(18)19-5)17-12-8(3)11(14)15-9(4)16-12/h7,10H,6H2,1-5H3,(H3,14,15,16,17)
InChIKeyFMUVCEOHTRHAFK-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.68
Rot. Bonds5

About methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate

methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate (PubChem CID 80811791) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate.

Molecular Properties

Compound Namemethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate
PubChem CID80811791
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate
SMILESCOC(=O)C(CC(C)C)Nc1nc(C)nc(N)c1C
InChIInChI=1S/C13H22N4O2/c1-7(2)6-10(13(18)19-5)17-12-8(3)11(14)15-9(4)16-12/h7,10H,6H2,1-5H3,(H3,14,15,16,17)
InChIKeyFMUVCEOHTRHAFK-UHFFFAOYSA-N
XLogP1.68
TPSA90.13 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.68
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate 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

2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]propanamide
CID 80788095
2,5-dimethyl-4-N-propan-2-ylpyrimidine-4,6-diamine
CID 80766348
methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
CID 62375037
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
methyl 2-[(6-amino-5-methyl-2-propan-2-ylpyrimidin-4-yl)amino]propanoate
CID 80987605
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-(2-methylpropyl)acetamide
CID 113405780
methyl (2R)-2-(chloroamino)-4-methylpentanoate
CID 59125779
2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-N-propan-2-ylacetamide
CID 80793358
methyl 2-[(6-amino-5-nitro-2-pyridinyl)amino]-4-methylpentanoate
CID 79826081
methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
CID 80812205
methyl 2-[(5-iodopyrimidin-4-yl)amino]-4-methylpentanoate
CID 66339909
ethyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]acetate
CID 80789883

Frequently Asked Questions

What is the IUPAC name of methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate?
The IUPAC name of methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate (CID 80811791) is methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate.
What is the SMILES notation for methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate?
The canonical SMILES for methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate is COC(=O)C(CC(C)C)Nc1nc(C)nc(N)c1C.
What is the InChIKey of methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate?
The InChIKey is FMUVCEOHTRHAFK-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-7(2)6-10(13(18)19-5)17-12-8(3)11(14)15-9(4)16-12/h7,10H,6H2,1-5H3,(H3,14,15,16,17).
What are the key properties of methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate?
methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate has a molecular weight of 266.34 g/mol, XLogP of 1.68, 5 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[(6-amino-2,5-dimethylpyrimidin-4-yl)amino]-4-methylpentanoate is sourced from PubChem (CID 80811791), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).