methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate

C11H18N4O2 — CID 115264973

IUPACmethyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
SMILESCCN(C)c1cc(NCCC(=O)OC)ncn1
InChIInChI=1S/C11H18N4O2/c1-4-15(2)10-7-9(13-8-14-10)12-6-5-11(16)17-3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyVBGPHILBIBCLGU-UHFFFAOYSA-N
MW238.29 g/mol
LogP0.91
Rot. Bonds6

About methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate

methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate (PubChem CID 115264973) has the molecular formula C11H18N4O2 and a molecular weight of 238.29 g/mol. Its IUPAC name is methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
PubChem CID115264973
Molecular FormulaC11H18N4O2
Molecular Weight238.29 g/mol
Exact Mass238.14
IUPAC Namemethyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
SMILESCCN(C)c1cc(NCCC(=O)OC)ncn1
InChIInChI=1S/C11H18N4O2/c1-4-15(2)10-7-9(13-8-14-10)12-6-5-11(16)17-3/h7-8H,4-6H2,1-3H3,(H,12,13,14)
InChIKeyVBGPHILBIBCLGU-UHFFFAOYSA-N
XLogP0.91
TPSA67.35 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds6
Heavy Atoms17
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500238.29
LogP ≤ 50.91
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate 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

methyl 3-[[6-[tert-butyl(methyl)amino]pyrimidin-4-yl]amino]propanoate
CID 115264976
1-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propan-2-one
CID 115265039
methyl 3-[(6-methylpyrimidin-4-yl)amino]propanoate
CID 61225699
2-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoic acid
CID 115264319
2-[methyl-[6-(propylamino)pyrimidin-4-yl]amino]-1-pyrrolidin-1-ylethanone
CID 80799613
6-N-(1-amino-2-methylpropan-2-yl)-4-N-ethyl-4-N-methylpyrimidine-4,6-diamine
CID 115263882
methyl 2-[[6-[cyclobutyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264956
methyl 2-[[6-[cyclopentyl(methyl)amino]pyrimidin-4-yl]amino]acetate
CID 115264955
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
methyl 3-[(5-methyl-1,2-oxazol-3-yl)amino]propanoate
CID 82316641
4-[[6-(cyclobutylmethylamino)pyrimidin-4-yl]-methylamino]butan-2-one
CID 115266311
4-N-butan-2-yl-4-N-methyl-6-N-propylpyrimidine-4,6-diamine
CID 80775376

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate (CID 115264973) is methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate is CCN(C)c1cc(NCCC(=O)OC)ncn1.
What is the InChIKey of methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
The InChIKey is VBGPHILBIBCLGU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18N4O2/c1-4-15(2)10-7-9(13-8-14-10)12-6-5-11(16)17-3/h7-8H,4-6H2,1-3H3,(H,12,13,14).
What are the key properties of methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate?
methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate has a molecular weight of 238.29 g/mol, XLogP of 0.91, 6 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[6-[ethyl(methyl)amino]pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 115264973), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).