2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

C15H20N6O — CID 135118923

IUPAC2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)CCn3ccnc3C)cc(=O)n2[nH]1
InChIInChI=1S/C15H20N6O/c1-11-8-14-17-13(9-15(22)21(14)18-11)10-19(3)6-7-20-5-4-16-12(20)2/h4-5,8-9,18H,6-7,10H2,1-3H3
InChIKeyDSGSPDVIROGNCZ-UHFFFAOYSA-N
MW300.37 g/mol
LogP0.97
Rot. Bonds5

About 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one

2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (PubChem CID 135118923) has the molecular formula C15H20N6O and a molecular weight of 300.37 g/mol. Its IUPAC name is 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.

Molecular Properties

Compound Name2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
PubChem CID135118923
Molecular FormulaC15H20N6O
Molecular Weight300.37 g/mol
Exact Mass300.17
IUPAC Name2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
SMILESCc1cc2nc(CN(C)CCn3ccnc3C)cc(=O)n2[nH]1
InChIInChI=1S/C15H20N6O/c1-11-8-14-17-13(9-15(22)21(14)18-11)10-19(3)6-7-20-5-4-16-12(20)2/h4-5,8-9,18H,6-7,10H2,1-3H3
InChIKeyDSGSPDVIROGNCZ-UHFFFAOYSA-N
XLogP0.97
TPSA71.22 Ų
H-Bond Donors1
H-Bond Acceptors6
Rotatable Bonds5
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500300.37
LogP ≤ 50.97
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 106

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Related Compounds

5-[[3-(3,5-dimethylpyrazol-1-yl)propyl-methylamino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 135094288
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CID 91829464
3,5-dimethyl-2-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyridin-4-one
CID 91829123
2-[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]acetic acid
CID 61493400
N-methyl-2-(2-methylimidazol-1-yl)-N-[[3-(trifluoromethyl)phenyl]methyl]ethanamine
CID 74238312
2-methyl-5-[[(3S)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 96571659
2-methyl-5-[[(3R)-3-(1-methylimidazol-2-yl)piperidin-1-yl]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 96571660
N-[(2-methoxypyrimidin-5-yl)methyl]-N-methyl-2-(2-methylimidazol-1-yl)ethanamine
CID 131900895
N-methyl-2-(2-methylimidazol-1-yl)-N-[(3-propan-2-ylimidazol-4-yl)methyl]ethanamine
CID 74243230
5-[[ethyl-[[3-(methoxymethyl)-1,2,4-oxadiazol-5-yl]methyl]amino]methyl]-2-methyl-1H-pyrazolo[1,5-a]pyrimidin-7-one
CID 91839637
1-N-methyl-1-N-[2-(2-methylimidazol-1-yl)ethyl]propane-1,2-diamine
CID 63759365
2-methyl-4-[4-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]phenyl]butan-2-ol
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Frequently Asked Questions

What is the IUPAC name of 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The IUPAC name of 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one (CID 135118923) is 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one.
What is the SMILES notation for 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The canonical SMILES for 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is Cc1cc2nc(CN(C)CCn3ccnc3C)cc(=O)n2[nH]1.
What is the InChIKey of 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
The InChIKey is DSGSPDVIROGNCZ-UHFFFAOYSA-N. The full InChI is InChI=1S/C15H20N6O/c1-11-8-14-17-13(9-15(22)21(14)18-11)10-19(3)6-7-20-5-4-16-12(20)2/h4-5,8-9,18H,6-7,10H2,1-3H3.
What are the key properties of 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one?
2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one has a molecular weight of 300.37 g/mol, XLogP of 0.97, 5 rotatable bonds, 1 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-methyl-5-[[methyl-[2-(2-methylimidazol-1-yl)ethyl]amino]methyl]-1H-pyrazolo[1,5-a]pyrimidin-7-one is sourced from PubChem (CID 135118923), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).