1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone

C15H21N5O — CID 72915024

IUPAC1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NC(c2nccn2C)C(C)C)nc1C
InChIInChI=1S/C15H21N5O/c1-9(2)13(14-16-6-7-20(14)5)19-15-17-8-12(11(4)21)10(3)18-15/h6-9,13H,1-5H3,(H,17,18,19)
InChIKeyXZZXDIQEFNZQSI-UHFFFAOYSA-N
MW287.37 g/mol
LogP2.53
Rot. Bonds5

About 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone

1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone (PubChem CID 72915024) has the molecular formula C15H21N5O and a molecular weight of 287.37 g/mol. Its IUPAC name is 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone.

Molecular Properties

Compound Name1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone
PubChem CID72915024
Molecular FormulaC15H21N5O
Molecular Weight287.37 g/mol
Exact Mass287.17
IUPAC Name1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone
SMILESCC(=O)c1cnc(NC(c2nccn2C)C(C)C)nc1C
InChIInChI=1S/C15H21N5O/c1-9(2)13(14-16-6-7-20(14)5)19-15-17-8-12(11(4)21)10(3)18-15/h6-9,13H,1-5H3,(H,17,18,19)
InChIKeyXZZXDIQEFNZQSI-UHFFFAOYSA-N
XLogP2.53
TPSA72.70 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms21
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500287.37
LogP ≤ 52.53
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone?
The IUPAC name of 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone (CID 72915024) is 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone.
What is the SMILES notation for 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone?
The canonical SMILES for 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone is CC(=O)c1cnc(NC(c2nccn2C)C(C)C)nc1C.
What is the InChIKey of 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone?
The InChIKey is XZZXDIQEFNZQSI-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H21N5O/c1-9(2)13(14-16-6-7-20(14)5)19-15-17-8-12(11(4)21)10(3)18-15/h6-9,13H,1-5H3,(H,17,18,19).
What are the key properties of 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone?
1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone has a molecular weight of 287.37 g/mol, XLogP of 2.53, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 1-[4-methyl-2-[[2-methyl-1-(1-methylimidazol-2-yl)propyl]amino]pyrimidin-5-yl]ethanone is sourced from PubChem (CID 72915024), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).