methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

C14H24N4O2 — CID 80802366

IUPACmethyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1ncnc(NC(C)C(=O)OC)c1CCC
InChIInChI=1S/C14H24N4O2/c1-5-7-11-12(15-8-6-2)16-9-17-13(11)18-10(3)14(19)20-4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyREQVSHBHFUSMGA-UHFFFAOYSA-N
MW280.37 g/mol
LogP2.22
Rot. Bonds8

About methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (PubChem CID 80802366) has the molecular formula C14H24N4O2 and a molecular weight of 280.37 g/mol. Its IUPAC name is methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
PubChem CID80802366
Molecular FormulaC14H24N4O2
Molecular Weight280.37 g/mol
Exact Mass280.19
IUPAC Namemethyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1ncnc(NC(C)C(=O)OC)c1CCC
InChIInChI=1S/C14H24N4O2/c1-5-7-11-12(15-8-6-2)16-9-17-13(11)18-10(3)14(19)20-4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18)
InChIKeyREQVSHBHFUSMGA-UHFFFAOYSA-N
XLogP2.22
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds8
Heavy Atoms20
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500280.37
LogP ≤ 52.22
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 2-[[5-propyl-6-(propylamino)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

2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]ethylurea
CID 83117732
(2S)-3-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]butan-1-ol
CID 80848746
methyl 2-[[6-(ethylamino)-5-propan-2-ylpyrimidin-4-yl]amino]propanoate
CID 80801917
N-ethyl-2-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanamide
CID 80800852
N-methyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80783919
N-ethyl-2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]acetamide
CID 80788303
ethyl 3-[[6-(ethylamino)-5-propylpyrimidin-4-yl]amino]propanoate
CID 80817030
4-N-[1-(furan-2-yl)ethyl]-6-N,5-dipropylpyrimidine-4,6-diamine
CID 80773789
methyl 2-[(6-hydrazinyl-5-methylpyrimidin-4-yl)amino]propanoate
CID 80897187
6-(3-methylbutan-2-yloxy)-N,5-dipropylpyrimidin-4-amine
CID 80882614
2-[(6-amino-5-ethylpyrimidin-4-yl)amino]-N-propylpropanamide
CID 80800536
6-N,5-dipropyl-4-N-(1-thiophen-3-ylethyl)pyrimidine-4,6-diamine
CID 80805122

Frequently Asked Questions

What is the IUPAC name of methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (CID 80802366) is methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is CCCNc1ncnc(NC(C)C(=O)OC)c1CCC.
What is the InChIKey of methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The InChIKey is REQVSHBHFUSMGA-UHFFFAOYSA-N. The full InChI is InChI=1S/C14H24N4O2/c1-5-7-11-12(15-8-6-2)16-9-17-13(11)18-10(3)14(19)20-4/h9-10H,5-8H2,1-4H3,(H2,15,16,17,18).
What are the key properties of methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate has a molecular weight of 280.37 g/mol, XLogP of 2.22, 8 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 2-[[5-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80802366), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).