methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

C15H26N4O2 — CID 80986480

IUPACmethyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1nc(CCC)nc(NCCC(=O)OC)c1C
InChIInChI=1S/C15H26N4O2/c1-5-7-12-18-14(16-9-6-2)11(3)15(19-12)17-10-8-13(20)21-4/h5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyGMJDTZHOOUOFRE-UHFFFAOYSA-N
MW294.40 g/mol
LogP2.53
Rot. Bonds9

About methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate

methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (PubChem CID 80986480) has the molecular formula C15H26N4O2 and a molecular weight of 294.40 g/mol. Its IUPAC name is methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.

Molecular Properties

Compound Namemethyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
PubChem CID80986480
Molecular FormulaC15H26N4O2
Molecular Weight294.40 g/mol
Exact Mass294.21
IUPAC Namemethyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
SMILESCCCNc1nc(CCC)nc(NCCC(=O)OC)c1C
InChIInChI=1S/C15H26N4O2/c1-5-7-12-18-14(16-9-6-2)11(3)15(19-12)17-10-8-13(20)21-4/h5-10H2,1-4H3,(H2,16,17,18,19)
InChIKeyGMJDTZHOOUOFRE-UHFFFAOYSA-N
XLogP2.53
TPSA76.14 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds9
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500294.40
LogP ≤ 52.53
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze methyl 3-[[5-methyl-2-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

methyl 3-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]sulfanylpropanoate
CID 80991417
methyl 3-[[5-methyl-2-propan-2-yl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80986482
methyl 3-[[2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80954586
4-N-[2-(dimethylamino)ethyl]-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80980867
2-methyl-3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propane-1,2-diol
CID 80992097
6-N-ethyl-5-methyl-4-N-(2-methylsulfonylethyl)-2-propylpyrimidine-4,6-diamine
CID 80987408
2-[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]oxyethanol
CID 80989648
6-N,2-diethyl-5-methyl-4-N-propylpyrimidine-4,6-diamine
CID 80980725
ethyl 3-[[5-methyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate
CID 80816605
4-[(6-amino-5-methyl-2-propylpyrimidin-4-yl)amino]butanamide
CID 80994095
2-[[2-ethyl-5-methyl-6-(propylamino)pyrimidin-4-yl]amino]ethyl carbamate
CID 83215295
4-N-cyclobutyl-5-methyl-6-N,2-dipropylpyrimidine-4,6-diamine
CID 80982309

Frequently Asked Questions

What is the IUPAC name of methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The IUPAC name of methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate (CID 80986480) is methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate.
What is the SMILES notation for methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The canonical SMILES for methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is CCCNc1nc(CCC)nc(NCCC(=O)OC)c1C.
What is the InChIKey of methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
The InChIKey is GMJDTZHOOUOFRE-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H26N4O2/c1-5-7-12-18-14(16-9-6-2)11(3)15(19-12)17-10-8-13(20)21-4/h5-10H2,1-4H3,(H2,16,17,18,19).
What are the key properties of methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate?
methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate has a molecular weight of 294.40 g/mol, XLogP of 2.53, 9 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for methyl 3-[[5-methyl-2-propyl-6-(propylamino)pyrimidin-4-yl]amino]propanoate is sourced from PubChem (CID 80986480), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).