methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate

C13H22N4O2 — CID 80812205

IUPACmethyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
SMILESCNc1nc(C)cc(NC(CC(C)C)C(=O)OC)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)6-10(12(18)19-5)16-11-7-9(3)15-13(14-4)17-11/h7-8,10H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeySMSDTBOAQISOGO-UHFFFAOYSA-N
MW266.34 g/mol
LogP1.83
Rot. Bonds6

About methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate

methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate (PubChem CID 80812205) has the molecular formula C13H22N4O2 and a molecular weight of 266.34 g/mol. Its IUPAC name is methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate.

Molecular Properties

Compound Namemethyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
PubChem CID80812205
Molecular FormulaC13H22N4O2
Molecular Weight266.34 g/mol
Exact Mass266.17
IUPAC Namemethyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate
SMILESCNc1nc(C)cc(NC(CC(C)C)C(=O)OC)n1
InChIInChI=1S/C13H22N4O2/c1-8(2)6-10(12(18)19-5)16-11-7-9(3)15-13(14-4)17-11/h7-8,10H,6H2,1-5H3,(H2,14,15,16,17)
InChIKeySMSDTBOAQISOGO-UHFFFAOYSA-N
XLogP1.83
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500266.34
LogP ≤ 51.83
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate with MolForge

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Related Compounds

N-ethyl-N-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 103114042
N-ethyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]propanamide
CID 80800769
methyl 2-[(2-hydrazinylpyrimidin-4-yl)amino]-4-methylpentanoate
CID 80904150
2-N,6-dimethyl-4-N-pentan-2-ylpyrimidine-2,4-diamine
CID 80770422
(2S)-2-[(2-ethyl-6-methylpyrimidin-4-yl)amino]-4-methylpentanoic acid
CID 120964503
methyl (2S)-4-methyl-2-(methylamino)pentanoate;hydrochloride
CID 75487996
ethyl 2-[(2-hydrazinyl-6-methylpyrimidin-4-yl)amino]propanoate
CID 80897570
methyl 4-methyl-2-[[2-(methylamino)acetyl]amino]pentanoate
CID 43229599
methyl 4-methyl-2-[(3-methyl-2-pyridinyl)amino]pentanoate
CID 62254768
methyl 2-[[6-(ethylamino)-2-pyridinyl]amino]-4-methylpentanoate
CID 80812300
methyl 4-methyl-2-[(3-methylquinoxalin-2-yl)amino]pentanoate
CID 62375037
(2S)-4-methyl-2-[[6-methyl-2-(2-phenoxyethylamino)pyrimidin-4-yl]amino]-N-(2-phenoxyethyl)pentanamide
CID 44527798

Frequently Asked Questions

What is the IUPAC name of methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate?
The IUPAC name of methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate (CID 80812205) is methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate.
What is the SMILES notation for methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate?
The canonical SMILES for methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate is CNc1nc(C)cc(NC(CC(C)C)C(=O)OC)n1.
What is the InChIKey of methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate?
The InChIKey is SMSDTBOAQISOGO-UHFFFAOYSA-N. The full InChI is InChI=1S/C13H22N4O2/c1-8(2)6-10(12(18)19-5)16-11-7-9(3)15-13(14-4)17-11/h7-8,10H,6H2,1-5H3,(H2,14,15,16,17).
What are the key properties of methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate?
methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate has a molecular weight of 266.34 g/mol, XLogP of 1.83, 6 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 4-methyl-2-[[6-methyl-2-(methylamino)pyrimidin-4-yl]amino]pentanoate is sourced from PubChem (CID 80812205), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).