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

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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).